N-(3H-benzimidazol-5-yl)-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide;3-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-2H-indazol-3-yl]propanoic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methyl-methylamino]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoate

C163H208N36O19S2 — CID 157225826

About N-(3H-benzimidazol-5-yl)-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide;3-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-2H-indazol-3-yl]propanoic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methyl-methylamino]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoate

N-(3H-benzimidazol-5-yl)-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide;3-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-2H-indazol-3-yl]propanoic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methyl-methylamino]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoate (PubChem CID 157225826) has the molecular formula C163H208N36O19S2 and a molecular weight of 3039.82 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide;3-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-2H-indazol-3-yl]propanoic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methyl-methylamino]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoate.

Molecular Properties

• Compound Name: N-(3H-benzimidazol-5-yl)-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide;3-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-2H-indazol-3-yl]propanoic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methyl-methylamino]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoate
• PubChem CID: 157225826
• Molecular Formula: C163H208N36O19S2
• Molecular Weight: 3039.82 g/mol
• Exact Mass: 3037.59
• IUPAC Name: N-(3H-benzimidazol-5-yl)-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide;3-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-2H-indazol-3-yl]propanoic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methyl-methylamino]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoate
• SMILES: CCCCCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CS(=O)(=O)CCC(=O)OCC)cc2)ncn1.CCCCCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)CCCC(=O)OCC)cc2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN(C)CC(=O)O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3n[nH]c(CCC(=O)O)c3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3nc[nH]c3c2)ncn1.O=C(Nc1cccc2[nH]ccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1.O=C(Nc1cccc2[nH]ncc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1
• InChI: InChI=1S/2C27H38N4O5S.C23H31N5O3.C23H27N5O.C22H26N6O3.C22H26N6O.C19H22N6O/c1-3-5-6-7-15-31(18-21-8-9-21)25-17-24(28-20-29-25)27(33)30-23-12-10-22(11-13-23)19-37(34,35)16-14-26(32)36-4-2;1-3-5-6-7-16-31(19-21-10-11-21)25-18-24(28-20-29-25)27(33)30-22-12-14-23(15-13-22)37(34,35)17-8-9-26(32)36-4-2;1-4-9-28(13-17-5-6-17)21-11-20(24-15-25-21)23(31)26-19-8-7-18(10-16(19)2)12-27(3)14-22(29)30;29-23(27-20-8-4-7-19-18(20)11-12-24-19)21-13-22(26-15-25-21)28(14-16-9-10-16)17-5-2-1-3-6-17;1-2-9-28(12-14-3-4-14)20-11-19(23-13-24-20)22(31)25-15-5-6-17-16(10-15)18(27-26-17)7-8-21(29)30;29-22(26-18-7-4-8-19-17(18)12-25-27-19)20-11-21(24-14-23-20)28(13-15-9-10-15)16-5-2-1-3-6-16;1-2-7-25(10-13-3-4-13)18-9-17(22-12-23-18)19(26)24-14-5-6-15-16(8-14)21-11-20-15/h10-13,17,20-21H,3-9,14-16,18-19H2,1-2H3,(H,30,33);12-15,18,20-21H,3-11,16-17,19H2,1-2H3,(H,30,33);7-8,10-11,15,17H,4-6,9,12-14H2,1-3H3,(H,26,31)(H,29,30);4,7-8,11-13,15-17,24H,1-3,5-6,9-10,14H2,(H,27,29);5-6,10-11,13-14H,2-4,7-9,12H2,1H3,(H,25,31)(H,26,27)(H,29,30);4,7-8,11-12,14-16H,1-3,5-6,9-10,13H2,(H,25,27)(H,26,29);5-6,8-9,11-13H,2-4,7,10H2,1H3,(H,20,21)(H,24,26)
• InChIKey: ATNITGLDSAALIW-UHFFFAOYSA-N
• XLogP: 27.61
• TPSA: 707.39 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 42
• Rotatable Bonds: 72
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3039.82
LogP ≤ 5	27.61
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide;3-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-2H-indazol-3-yl]propanoic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methyl-methylamino]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoate?

The IUPAC name of N-(3H-benzimidazol-5-yl)-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide;3-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-2H-indazol-3-yl]propanoic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methyl-methylamino]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoate (CID 157225826) is N-(3H-benzimidazol-5-yl)-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide;3-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-2H-indazol-3-yl]propanoic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methyl-methylamino]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoate.

What is the SMILES notation for N-(3H-benzimidazol-5-yl)-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide;3-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-2H-indazol-3-yl]propanoic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methyl-methylamino]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoate?

The canonical SMILES for N-(3H-benzimidazol-5-yl)-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide;3-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-2H-indazol-3-yl]propanoic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methyl-methylamino]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoate is CCCCCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CS(=O)(=O)CCC(=O)OCC)cc2)ncn1.CCCCCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)CCCC(=O)OCC)cc2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN(C)CC(=O)O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3n[nH]c(CCC(=O)O)c3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3nc[nH]c3c2)ncn1.O=C(Nc1cccc2[nH]ccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1.O=C(Nc1cccc2[nH]ncc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1.

What is the InChIKey of N-(3H-benzimidazol-5-yl)-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide;3-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-2H-indazol-3-yl]propanoic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methyl-methylamino]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoate?

The InChIKey is ATNITGLDSAALIW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H38N4O5S.C23H31N5O3.C23H27N5O.C22H26N6O3.C22H26N6O.C19H22N6O/c1-3-5-6-7-15-31(18-21-8-9-21)25-17-24(28-20-29-25)27(33)30-23-12-10-22(11-13-23)19-37(34,35)16-14-26(32)36-4-2;1-3-5-6-7-16-31(19-21-10-11-21)25-18-24(28-20-29-25)27(33)30-22-12-14-23(15-13-22)37(34,35)17-8-9-26(32)36-4-2;1-4-9-28(13-17-5-6-17)21-11-20(24-15-25-21)23(31)26-19-8-7-18(10-16(19)2)12-27(3)14-22(29)30;29-23(27-20-8-4-7-19-18(20)11-12-24-19)21-13-22(26-15-25-21)28(14-16-9-10-16)17-5-2-1-3-6-17;1-2-9-28(12-14-3-4-14)20-11-19(23-13-24-20)22(31)25-15-5-6-17-16(10-15)18(27-26-17)7-8-21(29)30;29-22(26-18-7-4-8-19-17(18)12-25-27-19)20-11-21(24-14-23-20)28(13-15-9-10-15)16-5-2-1-3-6-16;1-2-7-25(10-13-3-4-13)18-9-17(22-12-23-18)19(26)24-14-5-6-15-16(8-14)21-11-20-15/h10-13,17,20-21H,3-9,14-16,18-19H2,1-2H3,(H,30,33);12-15,18,20-21H,3-11,16-17,19H2,1-2H3,(H,30,33);7-8,10-11,15,17H,4-6,9,12-14H2,1-3H3,(H,26,31)(H,29,30);4,7-8,11-13,15-17,24H,1-3,5-6,9-10,14H2,(H,27,29);5-6,10-11,13-14H,2-4,7-9,12H2,1H3,(H,25,31)(H,26,27)(H,29,30);4,7-8,11-12,14-16H,1-3,5-6,9-10,13H2,(H,25,27)(H,26,29);5-6,8-9,11-13H,2-4,7,10H2,1H3,(H,20,21)(H,24,26).

What are the key properties of N-(3H-benzimidazol-5-yl)-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide;3-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-2H-indazol-3-yl]propanoic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methyl-methylamino]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoate?

N-(3H-benzimidazol-5-yl)-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide;3-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-2H-indazol-3-yl]propanoic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methyl-methylamino]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoate has a molecular weight of 3039.82 g/mol, XLogP of 27.61, 72 rotatable bonds, 13 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3H-benzimidazol-5-yl)-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide;3-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-2H-indazol-3-yl]propanoic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methyl-methylamino]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoate is sourced from PubChem (CID 157225826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).