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ZINC Item

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48631328

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-(4-chloropyrazol-1-yl)pyrimidine 4-chloro-6-(4-chloropyrazol-1-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.91	5.76	-4.77	0	4	0	44	215.043	1	↓ MOL2 SDF SMILES Flexibase

52815112

Analogs

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Popular Name: 2-chloro-4-methyl-6-pyrazol-1-yl-pyrimidine 2-chloro-4-methyl-6-pyrazol-1-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.72	5.22	-6.81	0	4	0	44	194.625	1	↓ MOL2 SDF SMILES Flexibase

52815119

Analogs

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Popular Name: 2-chloro-4-(3,5-dimethylpyrazol-1-yl)-6-methyl-pyrimidine 2-chloro-4-(3,5-dimethylpyrazol-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.16	6.66	-7.05	0	4	0	44	222.679	1	↓ MOL2 SDF SMILES Flexibase

52815124

Analogs

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Popular Name: 2-chloro-4-methyl-6-(4-methylpyrazol-1-yl)pyrimidine 2-chloro-4-methyl-6-(4-methylpyr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.10	5.9	-6.62	0	4	0	44	208.652	1	↓ MOL2 SDF SMILES Flexibase

52815127

Analogs

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Popular Name: 2-chloro-4-(4-chloropyrazol-1-yl)-6-methyl-pyrimidine 2-chloro-4-(4-chloropyrazol-1-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.33	5.74	-5.38	0	4	0	44	229.07	1	↓ MOL2 SDF SMILES Flexibase

52815129

Analogs

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Popular Name: 4-(4-bromopyrazol-1-yl)-2-chloro-6-methyl-pyrimidine 4-(4-bromopyrazol-1-yl)-2-chloro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.46	5.84	-5.26	0	4	0	44	273.521	1	↓ MOL2 SDF SMILES Flexibase

52815130

Analogs

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Popular Name: 2-chloro-4-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidine 2-chloro-4-methyl-6-(3,4,5-trime…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.54	7.12	-7.44	0	4	0	44	236.706	1	↓ MOL2 SDF SMILES Flexibase

52815132

Analogs

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Popular Name: 2-chloro-4-(4-ethyl-3,5-dimethyl-pyrazol-1-yl)-6-methyl-pyrimidine 2-chloro-4-(4-ethyl-3,5-dimethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.01	7.99	-6.98	0	4	0	44	250.733	2	↓ MOL2 SDF SMILES Flexibase

52815138

Analogs

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Popular Name: 2-chloro-4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine 2-chloro-4-methyl-6-[3-(trifluor…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.86	6.19	-5.43	0	4	0	44	262.622	2	↓ MOL2 SDF SMILES Flexibase

52815142

Analogs

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Popular Name: 2-chloro-4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-6-methyl-pyrimidine 2-chloro-4-(4-chloro-3,5-dimethy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.77	7.06	-5.64	0	4	0	44	257.124	1	↓ MOL2 SDF SMILES Flexibase

52815144

Analogs

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Popular Name: 4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-chloro-6-methyl-pyrimidine 4-(4-bromo-3,5-dimethyl-pyrazol-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	7.15	-5.62	0	4	0	44	301.575	1	↓ MOL2 SDF SMILES Flexibase

52837600

Analogs

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Popular Name: 4-chloro-2-methyl-6-(4-methylpyrazol-1-yl)pyrimidine 4-chloro-2-methyl-6-(4-methylpyr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.77	5.86	-6.07	0	4	0	44	208.652	1	↓ MOL2 SDF SMILES Flexibase

52837604

Analogs

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Popular Name: 4-chloro-6-(4-chloropyrazol-1-yl)-2-methyl-pyrimidine 4-chloro-6-(4-chloropyrazol-1-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.00	5.7	-4.58	0	4	0	44	229.07	1	↓ MOL2 SDF SMILES Flexibase

52837607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-bromopyrazol-1-yl)-6-chloro-2-methyl-pyrimidine 4-(4-bromopyrazol-1-yl)-6-chloro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.13	5.82	-4.55	0	4	0	44	273.521	1	↓ MOL2 SDF SMILES Flexibase

52837610

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidine 4-chloro-2-methyl-6-(3,4,5-trime…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.21	7.2	-6.98	0	4	0	44	236.706	1	↓ MOL2 SDF SMILES Flexibase

52837613

Analogs

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Popular Name: 4-chloro-6-(4-ethyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-pyrimidine 4-chloro-6-(4-ethyl-3,5-dimethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.68	7.94	-6.58	0	4	0	44	250.733	2	↓ MOL2 SDF SMILES Flexibase

52837624

Analogs

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Popular Name: 4-chloro-2-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine 4-chloro-2-methyl-6-[3-(trifluor…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.52	6.16	-5.49	0	4	0	44	262.622	2	↓ MOL2 SDF SMILES Flexibase

52837629

Analogs

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Popular Name: 4-chloro-6-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-2-methyl-pyrimidine 4-chloro-6-(4-chloro-3,5-dimethy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.44	7.1	-5.11	0	4	0	44	257.124	1	↓ MOL2 SDF SMILES Flexibase

52837631

Analogs

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Popular Name: 4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-6-chloro-2-methyl-pyrimidine 4-(4-bromo-3,5-dimethyl-pyrazol-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.57	7.19	-5.16	0	4	0	44	301.575	1	↓ MOL2 SDF SMILES Flexibase

52855933

Analogs

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Popular Name: 2-chloro-4-(3-methylpyrazol-1-yl)pyrimidine 2-chloro-4-(3-methylpyrazol-1-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.50	5.2	-6.96	0	4	0	44	194.625	1	↓ MOL2 SDF SMILES Flexibase

52855939

Analogs

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Popular Name: 4-chloro-6-(3-methylpyrazol-1-yl)-5-nitro-pyrimidine 4-chloro-6-(3-methylpyrazol-1-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.41	6.89	-10.93	0	7	0	89	239.622	2	↓ MOL2 SDF SMILES Flexibase

52855941

Analogs

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Popular Name: 4-chloro-2-methyl-6-(3-methylpyrazol-1-yl)pyrimidine 4-chloro-2-methyl-6-(3-methylpyr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.61	5.78	-6.42	0	4	0	44	208.652	1	↓ MOL2 SDF SMILES Flexibase

52855945

Analogs

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Popular Name: 2-chloro-4-methyl-6-(3-methylpyrazol-1-yl)pyrimidine 2-chloro-4-methyl-6-(3-methylpyr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.94	5.82	-6.75	0	4	0	44	208.652	1	↓ MOL2 SDF SMILES Flexibase

52884950

Analogs

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Popular Name: 2-chloro-4-(3-isopropylpyrazol-1-yl)pyrimidine 2-chloro-4-(3-isopropylpyrazol-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.56	6.47	-6.35	0	4	0	44	222.679	2	↓ MOL2 SDF SMILES Flexibase

52884953

Analogs

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Popular Name: 4-chloro-6-(3-isopropylpyrazol-1-yl)-5-nitro-pyrimidine 4-chloro-6-(3-isopropylpyrazol-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.47	8.15	-10.58	0	7	0	89	267.676	3	↓ MOL2 SDF SMILES Flexibase

52884954

Analogs

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Popular Name: 4-chloro-6-(3-isopropylpyrazol-1-yl)-2-methyl-pyrimidine 4-chloro-6-(3-isopropylpyrazol-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.67	7.05	-5.85	0	4	0	44	236.706	2	↓ MOL2 SDF SMILES Flexibase

52884956

Analogs

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Popular Name: 2-chloro-4-(3-isopropylpyrazol-1-yl)-6-methyl-pyrimidine 2-chloro-4-(3-isopropylpyrazol-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.00	7.08	-6.14	0	4	0	44	236.706	2	↓ MOL2 SDF SMILES Flexibase

52884958

Analogs

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Popular Name: 4-chloro-6-(3-isopropylpyrazol-1-yl)pyrimidine 4-chloro-6-(3-isopropylpyrazol-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.58	7.1	-5.82	0	4	0	44	222.679	2	↓ MOL2 SDF SMILES Flexibase

54669916

Analogs

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Popular Name: 3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-ol 3-[1-(6-methylpyrimidin-4-yl)pyr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.72	4.3	-9.26	1	5	0	64	218.26	4	↓ MOL2 SDF SMILES Flexibase

54670081

Analogs

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Popular Name: 4-[4-(3-chloropropyl)pyrazol-1-yl]-6-methyl-pyrimidine 4-[4-(3-chloropropyl)pyrazol-1-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.95	8.26	-8.33	0	4	0	44	236.706	4	↓ MOL2 SDF SMILES Flexibase

54670082

Analogs

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Popular Name: 4-[4-(3-bromopropyl)pyrazol-1-yl]-6-methyl-pyrimidine 4-[4-(3-bromopropyl)pyrazol-1-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.08	8.38	-8.21	0	4	0	44	281.157	4	↓ MOL2 SDF SMILES Flexibase

54680962

Analogs

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Popular Name: 3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine 3-[1-(6-methylpyrimidin-4-yl)pyr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.15	5.02	-48.9	3	5	1	71	218.284	4	↓ MOL2 SDF SMILES Flexibase

54680966

Analogs

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Popular Name: N-methyl-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine N-methyl-3-[1-(6-methylpyrimidin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.13	6.89	-44.3	2	5	1	60	232.311	5	↓ MOL2 SDF SMILES Flexibase

54680970

Analogs

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Popular Name: N-ethyl-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine N-ethyl-3-[1-(6-methylpyrimidin-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.16	7.74	-43.77	2	5	1	60	246.338	6	↓ MOL2 SDF SMILES Flexibase

54680974

Analogs

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Popular Name: 3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]-N-propyl-propan-1-amine 3-[1-(6-methylpyrimidin-4-yl)pyr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.66	8.5	-44.71	2	5	1	60	260.365	7	↓ MOL2 SDF SMILES Flexibase

54680977

Analogs

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Popular Name: N-isopropyl-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine N-isopropyl-3-[1-(6-methylpyrimi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.80	8.27	-42.68	2	5	1	60	260.365	6	↓ MOL2 SDF SMILES Flexibase

54680984

Analogs

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Popular Name: 2-methyl-N-[3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propyl]propan-2-amine 2-methyl-N-[3-[1-(6-methylpyrimi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.32	8.7	-41.46	2	5	1	60	274.392	6	↓ MOL2 SDF SMILES Flexibase

54680986

Analogs

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Popular Name: 2-methyl-N-[3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propyl]propan-1-amine 2-methyl-N-[3-[1-(6-methylpyrimi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.90	9.18	-44.86	2	5	1	60	274.392	7	↓ MOL2 SDF SMILES Flexibase

54680990

Analogs

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Popular Name: N-(2-methoxyethyl)-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine N-(2-methoxyethyl)-3-[1-(6-methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.77	6.88	-43.99	2	6	1	69	276.364	8	↓ MOL2 SDF SMILES Flexibase

64543261

Analogs

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Popular Name: 6-(3,5-dimethylpyrazol-1-yl)-N-isopropyl-pyrimidin-4-amine 6-(3,5-dimethylpyrazol-1-yl)-N-i…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.60	7.43	-8.01	1	5	0	56	231.303	3	↓ MOL2 SDF SMILES Flexibase

64543262

Analogs

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Popular Name: 6-(3,5-dimethylpyrazol-1-yl)-N-propyl-pyrimidin-4-amine 6-(3,5-dimethylpyrazol-1-yl)-N-p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.80	7.43	-8	1	5	0	56	231.303	4	↓ MOL2 SDF SMILES Flexibase

64543370

Analogs

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Popular Name: N-propyl-6-pyrazol-1-yl-pyrimidin-4-amine N-propyl-6-pyrazol-1-yl-pyrimidi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.36	6.06	-7.38	1	5	0	56	203.249	4	↓ MOL2 SDF SMILES Flexibase

64543371

Analogs

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Popular Name: N-ethyl-6-pyrazol-1-yl-pyrimidin-4-amine N-ethyl-6-pyrazol-1-yl-pyrimidin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.86	5.3	-7.6	1	5	0	56	189.222	3	↓ MOL2 SDF SMILES Flexibase

64543378

Analogs

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Popular Name: N,N-dimethyl-6-pyrazol-1-yl-pyrimidin-4-amine N,N-dimethyl-6-pyrazol-1-yl-pyri…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.73	6.43	-8.44	0	5	0	47	189.222	2	↓ MOL2 SDF SMILES Flexibase

54937073

Analogs

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Popular Name: 4-(4-bromopyrazol-1-yl)-2-methyl-pyrimidine 4-(4-bromopyrazol-1-yl)-2-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.11	5.4	-5.77	0	4	0	44	239.076	1	↓ MOL2 SDF SMILES Flexibase

54937075

Analogs

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Popular Name: 4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-pyrimidine 4-(4-bromo-3,5-dimethyl-pyrazol-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.55	6.78	-6.44	0	4	0	44	267.13	1	↓ MOL2 SDF SMILES Flexibase

54937188

Analogs

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Popular Name: 1-(2-methylpyrimidin-4-yl)pyrazol-4-amine 1-(2-methylpyrimidin-4-yl)pyrazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.22	2.64	-7.81	2	5	0	70	175.195	1	↓ MOL2 SDF SMILES Flexibase

54937191

Analogs

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Popular Name: 3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-amine 3,5-dimethyl-1-(2-methylpyrimidi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.22	4.14	-8.58	2	5	0	70	203.249	1	↓ MOL2 SDF SMILES Flexibase

54937197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methylpyrimidin-4-yl)pyrazol-3-amine 1-(2-methylpyrimidin-4-yl)pyrazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.02	3.65	-7.93	2	5	0	70	175.195	1	↓ MOL2 SDF SMILES Flexibase

54937207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-(2-methylpyrimidin-4-yl)pyrazol-3-amine 4-bromo-1-(2-methylpyrimidin-4-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.71	4.28	-6.32	2	5	0	70	254.091	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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