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Analogs

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Popular Name: 5,6-dimethyl-7-[(1S)-1-(3-thienyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine 5,6-dimethyl-7-[(1S)-1-(3-thieny…

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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) 2.37 8.86 -8.51 2 4 0 57 272.377 2 ↓
Lo Low (pH 4.5-6) 2.37 9 -27.91 3 4 1 58 273.385 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-7-[(1R)-1-(3-thienyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine 5,6-dimethyl-7-[(1R)-1-(3-thieny…

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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) 2.37 8.87 -8.5 2 4 0 57 272.377 2 ↓
Lo Low (pH 4.5-6) 2.37 9.07 -28.09 3 4 1 58 273.385 2 ↓

Analogs

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Popular Name: 2,5,6-trimethyl-7-[(1S)-1-(3-thienyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine 2,5,6-trimethyl-7-[(1S)-1-(3-thi…

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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) 2.46 8.81 -9.05 2 4 0 57 286.404 2 ↓
Lo Low (pH 4.5-6) 2.46 8.92 -24.83 3 4 1 58 287.412 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5,6-trimethyl-7-[(1R)-1-(3-thienyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine 2,5,6-trimethyl-7-[(1R)-1-(3-thi…

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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) 2.46 8.82 -9.08 2 4 0 57 286.404 2 ↓
Lo Low (pH 4.5-6) 2.46 9.04 -24.89 3 4 1 58 287.412 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1R)-1-(2,5-dimethyl-3-thieny…

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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) 2.81 10.38 -9.9 2 4 0 57 300.431 2 ↓
Lo Low (pH 4.5-6) 2.81 10.53 -28 3 4 1 58 301.439 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1S)-1-(2,5-dimethyl-3-thieny…

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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) 2.81 10.39 -9.9 2 4 0 57 300.431 2 ↓
Lo Low (pH 4.5-6) 2.81 10.57 -28.04 3 4 1 58 301.439 2 ↓

Parameters Provided:

ring.id = 212136
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 = 212136 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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