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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,6-dimethyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]pyrimidin-4-amine 2-chloro-N,6-dimethyl-N-[[(2S)-t…

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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) 2.56 6.72 -6.18 0 4 0 38 255.749 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N,6-dimethyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]pyrimidin-4-amine 2-chloro-N,6-dimethyl-N-[[(2R)-t…

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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) 2.56 6.72 -8.6 0 4 0 38 255.749 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[[(2S)-tetra…

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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) 2.31 4.54 -7.22 1 4 0 47 241.722 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[[(2R)-tetra…

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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) 2.31 4.59 -7.27 1 4 0 47 241.722 3 ↓

Analogs

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Popular Name: 6-chloro-N,2-dimethyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]pyrimidin-4-amine 6-chloro-N,2-dimethyl-N-[[(2S)-t…

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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) 2.23 6.68 -4.97 0 4 0 38 255.749 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N,2-dimethyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]pyrimidin-4-amine 6-chloro-N,2-dimethyl-N-[[(2R)-t…

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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) 2.23 6.68 -6.75 0 4 0 38 255.749 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-2-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]pyrimidin-4-amine 6-chloro-2-methyl-N-[[(2S)-tetra…

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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) 1.98 4.51 -5.46 1 4 0 47 241.722 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-2-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]pyrimidin-4-amine 6-chloro-2-methyl-N-[[(2R)-tetra…

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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) 1.98 4.56 -5.48 1 4 0 47 241.722 3 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]pyrimidin-4-amine 2-methyl-N-[[(2S)-tetrahydropyra…

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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) 0.96 4.09 -6.55 1 4 0 47 207.277 3 ↓
Mid Mid (pH 6-8) 0.96 4.53 -30.75 2 4 1 48 208.285 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]pyrimidin-4-amine 2-methyl-N-[[(2R)-tetrahydropyra…

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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) 0.96 4.14 -6.49 1 4 0 47 207.277 3 ↓
Mid Mid (pH 6-8) 0.96 4.58 -30.73 2 4 1 48 208.285 3 ↓

Analogs

42821990
42821990
42821994
42821994
42822060
42822060
42822063
42822063
42822067
42822067

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N4-[[(2S)-tetrahydropyran-2-yl]methyl]pyrimidine-2,4-diamine 6-methyl-N4-[[(2S)-tetrahydropyr…

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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) 1.12 4.1 -7.22 3 5 0 73 222.292 3 ↓
Mid Mid (pH 6-8) 1.12 4.55 -27.37 4 5 1 74 223.3 3 ↓

Analogs

42821990
42821990
42821994
42821994
42822060
42822060
42822063
42822063
42822067
42822067

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N4-[[(2R)-tetrahydropyran-2-yl]methyl]pyrimidine-2,4-diamine 6-methyl-N4-[[(2R)-tetrahydropyr…

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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) 1.12 4.15 -7.26 3 5 0 73 222.292 3 ↓
Mid Mid (pH 6-8) 1.12 4.6 -27.36 4 5 1 74 223.3 3 ↓

Analogs

38579690
38579690
42822090
42822090
42822093
42822093

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]pyrimidin-4-amine 2-chloro-N-methyl-N-[[(2S)-tetra…

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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) 2.12 6.29 -8.32 0 4 0 38 241.722 3 ↓

Analogs

42822090
42822090
42822093
42822093
38579689
38579689

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]pyrimidin-4-amine 2-chloro-N-methyl-N-[[(2R)-tetra…

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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) 2.12 6.12 -6.19 0 4 0 38 241.722 3 ↓

Analogs

48837206
48837206
48837208
48837208

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]pyrimidin-4-amine 6-chloro-N-methyl-N-[[(2S)-tetra…

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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) 2.14 6.93 -6.23 0 4 0 38 241.722 3 ↓

Analogs

48837206
48837206
48837208
48837208

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]pyrimidin-4-amine 6-chloro-N-methyl-N-[[(2R)-tetra…

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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) 2.14 6.75 -4.71 0 4 0 38 241.722 3 ↓

Parameters Provided:

ring.id = 23384
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 = 23384 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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