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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 2-chloro-N-(3-furylmethyl)-N,6-dimethyl-pyrimidin-4-amine 2-chloro-N-(3-furylmethyl)-N,6-d…

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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) 2.02 6.52 -9.28 0 4 0 42 237.69 3 ↓

Analogs

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Popular Name: 2-chloro-N,6-dimethyl-N-[(2-methyl-3-furyl)methyl]pyrimidin-4-amine 2-chloro-N,6-dimethyl-N-[(2-meth…

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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) 2.24 7.61 -9.05 0 4 0 42 251.717 3 ↓

Analogs

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Popular Name: 2-chloro-N-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[(1S)-1-(2,5-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.78 6.72 -8.69 1 4 0 51 265.744 3 ↓

Analogs

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Popular Name: 2-chloro-N-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[(1R)-1-(2,5-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.78 6.7 -8.69 1 4 0 51 265.744 3 ↓

Analogs

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Popular Name: 6-chloro-N-(3-furylmethyl)-N,2-dimethyl-pyrimidin-4-amine 6-chloro-N-(3-furylmethyl)-N,2-d…

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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) 1.69 6.48 -7.73 0 4 0 42 237.69 3 ↓

Analogs

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Popular Name: 6-chloro-N,2-dimethyl-N-[(2-methyl-3-furyl)methyl]pyrimidin-4-amine 6-chloro-N,2-dimethyl-N-[(2-meth…

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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) 1.91 6.97 -7.89 0 4 0 42 251.717 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-2-methyl-pyrimidin-4-amine 6-chloro-N-[(1R)-1-(2,5-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.45 6.67 -6.76 1 4 0 51 265.744 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-2-methyl-pyrimidin-4-amine 6-chloro-N-[(1S)-1-(2,5-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.45 6.69 -6.74 1 4 0 51 265.744 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-2-methyl-pyrimidin-4-amine N-[(1R)-1-(2,5-dimethyl-3-furyl)…

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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) 1.43 6.24 -7.92 1 4 0 51 231.299 3 ↓
Mid Mid (pH 6-8) 1.43 6.69 -33.93 2 4 1 52 232.307 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-2-methyl-pyrimidin-4-amine N-[(1S)-1-(2,5-dimethyl-3-furyl)…

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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) 1.43 6.26 -7.91 1 4 0 51 231.299 3 ↓
Mid Mid (pH 6-8) 1.43 6.71 -34 2 4 1 52 232.307 3 ↓

Analogs

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Popular Name: 6-chloro-N4-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]pyrimidine-2,4-diamine 6-chloro-N4-[(1R)-1-(2,5-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 6.07 -7.13 3 5 0 77 266.732 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N4-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]pyrimidine-2,4-diamine 6-chloro-N4-[(1S)-1-(2,5-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 6.1 -7.16 3 5 0 77 266.732 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-6-methyl-pyrimidine-2,4-diamine N4-[(1S)-1-(2,5-dimethyl-3-furyl…

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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) 1.58 6.73 -30.5 4 5 1 78 247.322 3 ↓
Mid Mid (pH 6-8) 1.58 6.28 -8.68 3 5 0 77 246.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-6-methyl-pyrimidine-2,4-diamine N4-[(1R)-1-(2,5-dimethyl-3-furyl…

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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) 1.58 6.71 -30.41 4 5 1 78 247.322 3 ↓
Mid Mid (pH 6-8) 1.58 6.26 -8.64 3 5 0 77 246.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-(3-furylmethyl)-N-methyl-pyrimidin-4-amine 6-chloro-N-(3-furylmethyl)-N-met…

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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) 1.60 6.52 -6.45 0 4 0 42 223.663 3 ↓

Analogs

48921711
48921711

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-methyl-N-[(2-methyl-3-furyl)methyl]pyrimidin-4-amine 6-chloro-N-methyl-N-[(2-methyl-3…

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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) 1.82 7.03 -7.51 0 4 0 42 237.69 3 ↓

Parameters Provided:

ring.id = 23380
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 = 23380 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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