6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[1-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-inden-4-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide

C131H167N31O10S2 — CID 158754033

About 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[1-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-inden-4-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide

6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[1-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-inden-4-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 158754033) has the molecular formula C131H167N31O10S2 and a molecular weight of 2400.12 g/mol. Its IUPAC name is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[1-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-inden-4-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[1-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-inden-4-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide
• PubChem CID: 158754033
• Molecular Formula: C131H167N31O10S2
• Molecular Weight: 2400.12 g/mol
• Exact Mass: 2398.30
• IUPAC Name: 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[1-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-inden-4-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide
• SMILES: C=S(C)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.C=S(C)(=O)c1ccc(NC(=O)c2cc(N(CCC)CC3CC3)ncn2)cc1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNC)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(cnn3CC(=O)N(C)C)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3nn(CC(=O)N(C)C)cc3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2cccc3c2C=CC3)ncn1
• InChI: InChI=1S/2C23H29N7O2.C23H30N4O2S.C21H29N5O.C21H24N4O.C20H26N4O2S/c1-4-9-29(13-16-5-6-16)21-11-19(24-15-25-21)23(32)27-18-7-8-20-17(10-18)12-26-30(20)14-22(31)28(2)3;1-4-9-29(12-16-5-6-16)21-11-20(24-15-25-21)23(32)26-18-7-8-19-17(10-18)13-30(27-19)14-22(31)28(2)3;1-30(2,29)20-12-10-18(11-13-20)26-23(28)21-14-22(25-16-24-21)27(15-17-8-9-17)19-6-4-3-5-7-19;1-4-9-26(13-16-5-6-16)20-11-19(23-14-24-20)21(27)25-18-8-7-17(12-22-3)10-15(18)2;1-2-11-25(13-15-9-10-15)20-12-19(22-14-23-20)21(26)24-18-8-4-6-16-5-3-7-17(16)18;1-4-11-24(13-15-5-6-15)19-12-18(21-14-22-19)20(25)23-16-7-9-17(10-8-16)27(2,3)26/h7-8,10-12,15-16H,4-6,9,13-14H2,1-3H3,(H,27,32);7-8,10-11,13,15-16H,4-6,9,12,14H2,1-3H3,(H,26,32);10-14,16-17,19H,1,3-9,15H2,2H3,(H,26,28);7-8,10-11,14,16,22H,4-6,9,12-13H2,1-3H3,(H,25,27);3-4,6-8,12,14-15H,2,5,9-11,13H2,1H3,(H,24,26);7-10,12,14-15H,2,4-6,11,13H2,1,3H3,(H,23,25)
• InChIKey: INVLFQVQLVLKNY-UHFFFAOYSA-N
• XLogP: 19.94
• TPSA: 471.15 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 49
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2400.12
LogP ≤ 5	19.94
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[1-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-inden-4-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide?

The IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[1-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-inden-4-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide (CID 158754033) is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[1-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-inden-4-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide.

What is the SMILES notation for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[1-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-inden-4-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide?

The canonical SMILES for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[1-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-inden-4-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide is C=S(C)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.C=S(C)(=O)c1ccc(NC(=O)c2cc(N(CCC)CC3CC3)ncn2)cc1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNC)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(cnn3CC(=O)N(C)C)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3nn(CC(=O)N(C)C)cc3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2cccc3c2C=CC3)ncn1.

What is the InChIKey of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[1-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-inden-4-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide?

The InChIKey is INVLFQVQLVLKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H29N7O2.C23H30N4O2S.C21H29N5O.C21H24N4O.C20H26N4O2S/c1-4-9-29(13-16-5-6-16)21-11-19(24-15-25-21)23(32)27-18-7-8-20-17(10-18)12-26-30(20)14-22(31)28(2)3;1-4-9-29(12-16-5-6-16)21-11-20(24-15-25-21)23(32)26-18-7-8-19-17(10-18)13-30(27-19)14-22(31)28(2)3;1-30(2,29)20-12-10-18(11-13-20)26-23(28)21-14-22(25-16-24-21)27(15-17-8-9-17)19-6-4-3-5-7-19;1-4-9-26(13-16-5-6-16)20-11-19(23-14-24-20)21(27)25-18-8-7-17(12-22-3)10-15(18)2;1-2-11-25(13-15-9-10-15)20-12-19(22-14-23-20)21(26)24-18-8-4-6-16-5-3-7-17(16)18;1-4-11-24(13-15-5-6-15)19-12-18(21-14-22-19)20(25)23-16-7-9-17(10-8-16)27(2,3)26/h7-8,10-12,15-16H,4-6,9,13-14H2,1-3H3,(H,27,32);7-8,10-11,13,15-16H,4-6,9,12,14H2,1-3H3,(H,26,32);10-14,16-17,19H,1,3-9,15H2,2H3,(H,26,28);7-8,10-11,14,16,22H,4-6,9,12-13H2,1-3H3,(H,25,27);3-4,6-8,12,14-15H,2,5,9-11,13H2,1H3,(H,24,26);7-10,12,14-15H,2,4-6,11,13H2,1,3H3,(H,23,25).

What are the key properties of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[1-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-inden-4-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide?

6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[1-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-inden-4-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 2400.12 g/mol, XLogP of 19.94, 49 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[1-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-inden-4-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 158754033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).