4-[[6-amino-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]benzonitrile;4-N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(3-fluoro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(6-methoxy-3-pyridinyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine

C93H78ClF3N32O4 — CID 161009256

About 4-[[6-amino-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]benzonitrile;4-N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(3-fluoro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(6-methoxy-3-pyridinyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine

4-[[6-amino-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]benzonitrile;4-N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(3-fluoro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(6-methoxy-3-pyridinyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine (PubChem CID 161009256) has the molecular formula C93H78ClF3N32O4 and a molecular weight of 1800.31 g/mol. Its IUPAC name is 4-[[6-amino-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]benzonitrile;4-N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(3-fluoro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(6-methoxy-3-pyridinyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 4-[[6-amino-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]benzonitrile;4-N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(3-fluoro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(6-methoxy-3-pyridinyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
• PubChem CID: 161009256
• Molecular Formula: C93H78ClF3N32O4
• Molecular Weight: 1800.31 g/mol
• Exact Mass: 1798.65
• IUPAC Name: 4-[[6-amino-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]benzonitrile;4-N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(3-fluoro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(6-methoxy-3-pyridinyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
• SMILES: COc1ccc(Nc2cc(N)nc(-n3c(C)nc4ccccc43)n2)cc1F.COc1ccc(Nc2cc(N)nc(-n3c(C)nc4ccccc43)n2)cn1.Cc1nc2ccccc2n1-c1nc(N)cc(Nc2ccc(C#N)cc2)n1.Cc1nc2ccccc2n1-c1nc(N)cc(Nc2ccc(Cl)cc2)n1.Cc1nc2ccccc2n1-c1nc(N)cc(Nc2ccc3c(c2)OC(F)(F)O3)n1
• InChI: InChI=1S/C19H14F2N6O2.C19H17FN6O.C19H15N7.C18H15ClN6.C18H17N7O/c1-10-23-12-4-2-3-5-13(12)27(10)18-25-16(22)9-17(26-18)24-11-6-7-14-15(8-11)29-19(20,21)28-14;1-11-22-14-5-3-4-6-15(14)26(11)19-24-17(21)10-18(25-19)23-12-7-8-16(27-2)13(20)9-12;1-12-22-15-4-2-3-5-16(15)26(12)19-24-17(21)10-18(25-19)23-14-8-6-13(11-20)7-9-14;1-11-21-14-4-2-3-5-15(14)25(11)18-23-16(20)10-17(24-18)22-13-8-6-12(19)7-9-13;1-11-21-13-5-3-4-6-14(13)25(11)18-23-15(19)9-16(24-18)22-12-7-8-17(26-2)20-10-12/h2-9H,1H3,(H3,22,24,25,26);3-10H,1-2H3,(H3,21,23,24,25);2-10H,1H3,(H3,21,23,24,25);2-10H,1H3,(H3,20,22,23,24);3-10H,1-2H3,(H3,19,22,23,24)
• InChIKey: TWXNEJIQPFECCK-UHFFFAOYSA-N
• XLogP: 17.65
• TPSA: 481.85 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 17
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1800.31
LogP ≤ 5	17.65
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 4-[[6-amino-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]benzonitrile;4-N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(3-fluoro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(6-methoxy-3-pyridinyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine?

The IUPAC name of 4-[[6-amino-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]benzonitrile;4-N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(3-fluoro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(6-methoxy-3-pyridinyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine (CID 161009256) is 4-[[6-amino-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]benzonitrile;4-N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(3-fluoro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(6-methoxy-3-pyridinyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine.

What is the SMILES notation for 4-[[6-amino-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]benzonitrile;4-N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(3-fluoro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(6-methoxy-3-pyridinyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine?

The canonical SMILES for 4-[[6-amino-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]benzonitrile;4-N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(3-fluoro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(6-methoxy-3-pyridinyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine is COc1ccc(Nc2cc(N)nc(-n3c(C)nc4ccccc43)n2)cc1F.COc1ccc(Nc2cc(N)nc(-n3c(C)nc4ccccc43)n2)cn1.Cc1nc2ccccc2n1-c1nc(N)cc(Nc2ccc(C#N)cc2)n1.Cc1nc2ccccc2n1-c1nc(N)cc(Nc2ccc(Cl)cc2)n1.Cc1nc2ccccc2n1-c1nc(N)cc(Nc2ccc3c(c2)OC(F)(F)O3)n1.

What is the InChIKey of 4-[[6-amino-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]benzonitrile;4-N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(3-fluoro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(6-methoxy-3-pyridinyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine?

The InChIKey is TWXNEJIQPFECCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O2.C19H17FN6O.C19H15N7.C18H15ClN6.C18H17N7O/c1-10-23-12-4-2-3-5-13(12)27(10)18-25-16(22)9-17(26-18)24-11-6-7-14-15(8-11)29-19(20,21)28-14;1-11-22-14-5-3-4-6-15(14)26(11)19-24-17(21)10-18(25-19)23-12-7-8-16(27-2)13(20)9-12;1-12-22-15-4-2-3-5-16(15)26(12)19-24-17(21)10-18(25-19)23-14-8-6-13(11-20)7-9-14;1-11-21-14-4-2-3-5-15(14)25(11)18-23-16(20)10-17(24-18)22-13-8-6-12(19)7-9-13;1-11-21-13-5-3-4-6-14(13)25(11)18-23-15(19)9-16(24-18)22-12-7-8-17(26-2)20-10-12/h2-9H,1H3,(H3,22,24,25,26);3-10H,1-2H3,(H3,21,23,24,25);2-10H,1H3,(H3,21,23,24,25);2-10H,1H3,(H3,20,22,23,24);3-10H,1-2H3,(H3,19,22,23,24).

What are the key properties of 4-[[6-amino-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]benzonitrile;4-N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(3-fluoro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(6-methoxy-3-pyridinyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine?

4-[[6-amino-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]benzonitrile;4-N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(3-fluoro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(6-methoxy-3-pyridinyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine has a molecular weight of 1800.31 g/mol, XLogP of 17.65, 17 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-amino-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]benzonitrile;4-N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(3-fluoro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(6-methoxy-3-pyridinyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 161009256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).