N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(2-ethyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;4-(2-methyl-1,3-thiazol-4-yl)-N-(4-nitrophenyl)pyrimidin-2-amine;4-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzonitrile

C75H69F3N22O3S5 — CID 157103623

About N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(2-ethyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;4-(2-methyl-1,3-thiazol-4-yl)-N-(4-nitrophenyl)pyrimidin-2-amine;4-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzonitrile

N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(2-ethyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;4-(2-methyl-1,3-thiazol-4-yl)-N-(4-nitrophenyl)pyrimidin-2-amine;4-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzonitrile (PubChem CID 157103623) has the molecular formula C75H69F3N22O3S5 and a molecular weight of 1543.86 g/mol. Its IUPAC name is N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(2-ethyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;4-(2-methyl-1,3-thiazol-4-yl)-N-(4-nitrophenyl)pyrimidin-2-amine;4-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzonitrile.

Molecular Properties

• Compound Name: N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(2-ethyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;4-(2-methyl-1,3-thiazol-4-yl)-N-(4-nitrophenyl)pyrimidin-2-amine;4-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzonitrile
• PubChem CID: 157103623
• Molecular Formula: C75H69F3N22O3S5
• Molecular Weight: 1543.86 g/mol
• Exact Mass: 1542.45
• IUPAC Name: N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(2-ethyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;4-(2-methyl-1,3-thiazol-4-yl)-N-(4-nitrophenyl)pyrimidin-2-amine;4-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzonitrile
• SMILES: CCc1nc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)cs1.COc1cc(Nc2nccc(-c3csc(C)n3)n2)cc(C(F)(F)F)c1.Cc1nc(-c2ccnc(NC3CCCC3)n2)cs1.Cc1nc(-c2ccnc(Nc3ccc(C#N)cc3)n2)cs1.Cc1nc(-c2ccnc(Nc3ccc([N+](=O)[O-])cc3)n2)cs1
• InChI: InChI=1S/C17H18N4S.C16H13F3N4OS.C15H11N5S.C14H11N5O2S.C13H16N4S/c1-4-16-20-15(10-22-16)14-5-6-18-17(21-14)19-13-8-11(2)7-12(3)9-13;1-9-21-14(8-25-9)13-3-4-20-15(23-13)22-11-5-10(16(17,18)19)6-12(7-11)24-2;1-10-18-14(9-21-10)13-6-7-17-15(20-13)19-12-4-2-11(8-16)3-5-12;1-9-16-13(8-22-9)12-6-7-15-14(18-12)17-10-2-4-11(5-3-10)19(20)21;1-9-15-12(8-18-9)11-6-7-14-13(17-11)16-10-4-2-3-5-10/h5-10H,4H2,1-3H3,(H,18,19,21);3-8H,1-2H3,(H,20,22,23);2-7,9H,1H3,(H,17,19,20);2-8H,1H3,(H,15,17,18);6-8,10H,2-5H2,1H3,(H,14,16,17)
• InChIKey: AGAWYFMTQVZPER-UHFFFAOYSA-N
• XLogP: 19.55
• TPSA: 329.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1543.86
LogP ≤ 5	19.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(2-ethyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;4-(2-methyl-1,3-thiazol-4-yl)-N-(4-nitrophenyl)pyrimidin-2-amine;4-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzonitrile?

The IUPAC name of N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(2-ethyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;4-(2-methyl-1,3-thiazol-4-yl)-N-(4-nitrophenyl)pyrimidin-2-amine;4-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzonitrile (CID 157103623) is N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(2-ethyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;4-(2-methyl-1,3-thiazol-4-yl)-N-(4-nitrophenyl)pyrimidin-2-amine;4-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzonitrile.

What is the SMILES notation for N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(2-ethyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;4-(2-methyl-1,3-thiazol-4-yl)-N-(4-nitrophenyl)pyrimidin-2-amine;4-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzonitrile?

The canonical SMILES for N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(2-ethyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;4-(2-methyl-1,3-thiazol-4-yl)-N-(4-nitrophenyl)pyrimidin-2-amine;4-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzonitrile is CCc1nc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)cs1.COc1cc(Nc2nccc(-c3csc(C)n3)n2)cc(C(F)(F)F)c1.Cc1nc(-c2ccnc(NC3CCCC3)n2)cs1.Cc1nc(-c2ccnc(Nc3ccc(C#N)cc3)n2)cs1.Cc1nc(-c2ccnc(Nc3ccc([N+](=O)[O-])cc3)n2)cs1.

What is the InChIKey of N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(2-ethyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;4-(2-methyl-1,3-thiazol-4-yl)-N-(4-nitrophenyl)pyrimidin-2-amine;4-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzonitrile?

The InChIKey is AGAWYFMTQVZPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S.C16H13F3N4OS.C15H11N5S.C14H11N5O2S.C13H16N4S/c1-4-16-20-15(10-22-16)14-5-6-18-17(21-14)19-13-8-11(2)7-12(3)9-13;1-9-21-14(8-25-9)13-3-4-20-15(23-13)22-11-5-10(16(17,18)19)6-12(7-11)24-2;1-10-18-14(9-21-10)13-6-7-17-15(20-13)19-12-4-2-11(8-16)3-5-12;1-9-16-13(8-22-9)12-6-7-15-14(18-12)17-10-2-4-11(5-3-10)19(20)21;1-9-15-12(8-18-9)11-6-7-14-13(17-11)16-10-4-2-3-5-10/h5-10H,4H2,1-3H3,(H,18,19,21);3-8H,1-2H3,(H,20,22,23);2-7,9H,1H3,(H,17,19,20);2-8H,1H3,(H,15,17,18);6-8,10H,2-5H2,1H3,(H,14,16,17).

What are the key properties of N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(2-ethyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;4-(2-methyl-1,3-thiazol-4-yl)-N-(4-nitrophenyl)pyrimidin-2-amine;4-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzonitrile?

N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(2-ethyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;4-(2-methyl-1,3-thiazol-4-yl)-N-(4-nitrophenyl)pyrimidin-2-amine;4-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzonitrile has a molecular weight of 1543.86 g/mol, XLogP of 19.55, 18 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(2-ethyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;4-(2-methyl-1,3-thiazol-4-yl)-N-(4-nitrophenyl)pyrimidin-2-amine;4-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzonitrile is sourced from PubChem (CID 157103623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).