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Analogs

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Popular Name: 6-chloro-N-methyl-N-[2-(4-pyridyl)ethyl]pyrimidin-4-amine 6-chloro-N-methyl-N-[2-(4-pyridy…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.77 7.54 -7.82 0 4 0 42 248.717 4 ↓
Mid Mid (pH 6-8) 1.77 8 -37.6 1 4 1 43 249.725 4 ↓

Analogs

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Popular Name: 6-chloro-N-[2-(4-pyridyl)ethyl]pyrimidin-4-amine 6-chloro-N-[2-(4-pyridyl)ethyl]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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.53 5.47 -7.83 1 4 0 51 234.69 4 ↓
Mid Mid (pH 6-8) 1.53 5.92 -39.35 2 4 1 52 235.698 4 ↓

Analogs

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Popular Name: 2-chloro-N,6-dimethyl-N-[2-(4-pyridyl)ethyl]pyrimidin-4-amine 2-chloro-N,6-dimethyl-N-[2-(4-py…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 7.54 -9.73 0 4 0 42 262.744 4 ↓
Mid Mid (pH 6-8) 2.19 8 -37.55 1 4 1 43 263.752 4 ↓

Analogs

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Popular Name: 2-chloro-6-methyl-N-[2-(4-pyridyl)ethyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[2-(4-pyridy…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.95 5.45 -9.16 1 4 0 51 248.717 4 ↓
Lo Low (pH 4.5-6) 1.95 5.91 -42.25 2 4 1 52 249.725 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N,2-dimethyl-N-[2-(4-pyridyl)ethyl]pyrimidin-4-amine 6-chloro-N,2-dimethyl-N-[2-(4-py…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.86 7.5 -8.08 0 4 0 42 262.744 4 ↓
Mid Mid (pH 6-8) 1.86 7.96 -38.12 1 4 1 43 263.752 4 ↓

Analogs

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Popular Name: 6-chloro-2-methyl-N-[2-(4-pyridyl)ethyl]pyrimidin-4-amine 6-chloro-2-methyl-N-[2-(4-pyridy…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.62 5.42 -8.05 1 4 0 51 248.717 4 ↓
Lo Low (pH 4.5-6) 1.62 5.88 -39.57 2 4 1 52 249.725 4 ↓

Analogs

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Popular Name: 2-methyl-N-[2-(4-pyridyl)ethyl]pyrimidin-4-amine 2-methyl-N-[2-(4-pyridyl)ethyl]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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.60 5 -8.48 1 4 0 51 214.272 4 ↓
Mid Mid (pH 6-8) 0.60 5.44 -34.58 2 4 1 52 215.28 4 ↓
Lo Low (pH 4.5-6) 0.60 5.9 -78.4 3 4 2 53 216.288 4 ↓

Analogs

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Popular Name: N6-isopropyl-N4-[(1S)-1-methyl-2-(4-pyridyl)ethyl]pyrimidine-4,6-diamine N6-isopropyl-N4-[(1S)-1-methyl-2…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.71 7.05 -9.4 2 5 0 63 271.368 6 ↓
Lo Low (pH 4.5-6) 1.71 7.99 -77.63 4 5 2 65 273.384 6 ↓
Lo Low (pH 4.5-6) 1.71 7.51 -36.63 3 5 1 64 272.376 6 ↓

Analogs

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Popular Name: N6-isopropyl-N4-[(1R)-1-methyl-2-(4-pyridyl)ethyl]pyrimidine-4,6-diamine N6-isopropyl-N4-[(1R)-1-methyl-2…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.71 7.04 -9.34 2 5 0 63 271.368 6 ↓
Lo Low (pH 4.5-6) 1.71 7.98 -77.74 4 5 2 65 273.384 6 ↓
Lo Low (pH 4.5-6) 1.71 7.5 -36.73 3 5 1 64 272.376 6 ↓

Analogs

53136932
53136932
53136956
53136956

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Popular Name: 6-isopropyl-N,2-dimethyl-N-[2-(4-pyridyl)ethyl]pyrimidin-4-amine 6-isopropyl-N,2-dimethyl-N-[2-(4…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.34 9.54 -29.63 1 4 1 43 271.388 5 ↓
Mid Mid (pH 6-8) 2.34 10 -72.13 2 4 2 44 272.396 5 ↓
Mid Mid (pH 6-8) 2.34 8.93 -8.6 0 4 0 42 270.38 5 ↓

Analogs

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Popular Name: 2-chloro-N-methyl-N-[2-(4-pyridyl)ethyl]pyrimidin-4-amine 2-chloro-N-methyl-N-[2-(4-pyridy…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.75 6.9 -9.53 0 4 0 42 248.717 4 ↓
Mid Mid (pH 6-8) 1.75 7.36 -37.16 1 4 1 43 249.725 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[2-(4-pyridyl)ethyl]pyrimidin-4-amine 2-chloro-N-[2-(4-pyridyl)ethyl]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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.51 4.83 -9.18 1 4 0 51 234.69 4 ↓
Mid Mid (pH 6-8) 1.51 5.28 -41.95 2 4 1 52 235.698 4 ↓

Parameters Provided:

ring.id = 21867
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 21867 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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