4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3H-indol-2-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine

C100H104Cl3N27S — CID 161043462

About 4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3H-indol-2-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine

4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3H-indol-2-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine (PubChem CID 161043462) has the molecular formula C100H104Cl3N27S and a molecular weight of 1822.55 g/mol. Its IUPAC name is 4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3H-indol-2-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3H-indol-2-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine
• PubChem CID: 161043462
• Molecular Formula: C100H104Cl3N27S
• Molecular Weight: 1822.55 g/mol
• Exact Mass: 1819.78
• IUPAC Name: 4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3H-indol-2-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine
• SMILES: Cc1cccc(-c2cc(CCc3cnc(-c4ccccc4)s3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCC3=Nc4ccccc4C3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCc3nc4ccccc4n3C)nc(N)n2)c1C.Cc1nc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)n[nH]1.Cc1nc(CCCc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)n[nH]1
• InChI: InChI=1S/C23H25N5.C23H22N4S.C21H22N6.C17H19ClN6.C16H16Cl2N6/c1-15-7-5-10-19(16(15)2)21-14-22(28-23(24)27-21)25-12-6-9-18-13-17-8-3-4-11-20(17)26-18;1-15-7-6-10-20(16(15)2)21-13-18(26-23(24)27-21)11-12-19-14-25-22(28-19)17-8-4-3-5-9-17;1-13-7-6-8-15(14(13)2)17-11-19(26-21(22)25-17)23-12-20-24-16-9-4-5-10-18(16)27(20)3;1-10-13(6-4-7-14(10)18)15-9-12(21-17(19)22-15)5-3-8-16-20-11(2)23-24-16;1-9-20-14(24-23-9)7-2-4-10-8-13(22-16(19)21-10)11-5-3-6-12(17)15(11)18/h3-5,7-8,10-11,14H,6,9,12-13H2,1-2H3,(H3,24,25,27,28);3-10,13-14H,11-12H2,1-2H3,(H2,24,26,27);4-11H,12H2,1-3H3,(H3,22,23,25,26);4,6-7,9H,3,5,8H2,1-2H3,(H2,19,21,22)(H,20,23,24);3,5-6,8H,2,4,7H2,1H3,(H2,19,21,22)(H,20,23,24)
• InChIKey: UBELCORKPGIQNI-UHFFFAOYSA-N
• XLogP: 20.88
• TPSA: 409.27 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1822.55
LogP ≤ 5	20.88
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3H-indol-2-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine?

The IUPAC name of 4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3H-indol-2-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine (CID 161043462) is 4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3H-indol-2-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine.

What is the SMILES notation for 4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3H-indol-2-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine?

The canonical SMILES for 4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3H-indol-2-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine is Cc1cccc(-c2cc(CCc3cnc(-c4ccccc4)s3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCC3=Nc4ccccc4C3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCc3nc4ccccc4n3C)nc(N)n2)c1C.Cc1nc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)n[nH]1.Cc1nc(CCCc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)n[nH]1.

What is the InChIKey of 4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3H-indol-2-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine?

The InChIKey is UBELCORKPGIQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5.C23H22N4S.C21H22N6.C17H19ClN6.C16H16Cl2N6/c1-15-7-5-10-19(16(15)2)21-14-22(28-23(24)27-21)25-12-6-9-18-13-17-8-3-4-11-20(17)26-18;1-15-7-6-10-20(16(15)2)21-13-18(26-23(24)27-21)11-12-19-14-25-22(28-19)17-8-4-3-5-9-17;1-13-7-6-8-15(14(13)2)17-11-19(26-21(22)25-17)23-12-20-24-16-9-4-5-10-18(16)27(20)3;1-10-13(6-4-7-14(10)18)15-9-12(21-17(19)22-15)5-3-8-16-20-11(2)23-24-16;1-9-20-14(24-23-9)7-2-4-10-8-13(22-16(19)21-10)11-5-3-6-12(17)15(11)18/h3-5,7-8,10-11,14H,6,9,12-13H2,1-2H3,(H3,24,25,27,28);3-10,13-14H,11-12H2,1-2H3,(H2,24,26,27);4-11H,12H2,1-3H3,(H3,22,23,25,26);4,6-7,9H,3,5,8H2,1-2H3,(H2,19,21,22)(H,20,23,24);3,5-6,8H,2,4,7H2,1H3,(H2,19,21,22)(H,20,23,24).

What are the key properties of 4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3H-indol-2-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine?

4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3H-indol-2-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine has a molecular weight of 1822.55 g/mol, XLogP of 20.88, 25 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3H-indol-2-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 161043462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).