6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-methylsulfonylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(propylsulfamoyl)phenyl]pyrimidine-4-carboxamide;N-(2,4-dimethylphenyl)-6-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxamide — IUPAC name, SMILES, InChIKey & properties

Name: 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-methylsulfonylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(propylsulfamoyl)phenyl]pyrimidine-4-carboxamide;N-(2,4-dimethylphenyl)-6-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-methylsulfonylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(propylsulfamoyl)phenyl]pyrimidine-4-carboxamide;N-(2,4-dimethylphenyl)-6-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxamide

6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-methylsulfonylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(propylsulfamoyl)phenyl]pyrimidine-4-carboxamide;N-(2,4-dimethylphenyl)-6-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxamide (PubChem CID 161362747) has the molecular formula C108H140N22O9S2 and a molecular weight of 1954.59 g/mol. Its IUPAC name is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-methylsulfonylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(propylsulfamoyl)phenyl]pyrimidine-4-carboxamide;N-(2,4-dimethylphenyl)-6-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name	6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-methylsulfonylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(propylsulfamoyl)phenyl]pyrimidine-4-carboxamide;N-(2,4-dimethylphenyl)-6-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxamide
PubChem CID	161362747
Molecular Formula	C108H140N22O9S2
Molecular Weight	1954.59 g/mol
Exact Mass	1953.06
IUPAC Name	6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-methylsulfonylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(propylsulfamoyl)phenyl]pyrimidine-4-carboxamide;N-(2,4-dimethylphenyl)-6-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxamide
SMILES	CCCNS(=O)(=O)c1ccc(NC(=O)c2cc(N(C)C3CCCCC3)ncn2)cc1.CN(c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1)C1CCCCC1.Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1.Cc1ccc(NC(=O)c2cc(N(C)C3CCC(C)CC3)ncn2)c(C)c1.Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1
InChI	InChI=1S/C23H30N4O3S.C23H30N4O.C21H29N5O3S.C21H28N4O.C20H23N5O/c1-16-12-19(31(2,29)30)10-11-20(16)26-23(28)21-13-22(25-15-24-21)27(14-17-8-9-17)18-6-4-3-5-7-18;1-16-8-11-20(17(2)12-16)26-23(28)21-13-22(25-15-24-21)27(14-18-9-10-18)19-6-4-3-5-7-19;1-3-13-24-30(28,29)18-11-9-16(10-12-18)25-21(27)19-14-20(23-15-22-19)26(2)17-7-5-4-6-8-17;1-14-5-8-17(9-6-14)25(4)20-12-19(22-13-23-20)21(26)24-18-10-7-15(2)11-16(18)3;1-25(16-5-3-2-4-6-16)19-12-18(22-13-23-19)20(26)24-15-7-8-17-14(11-15)9-10-21-17/h10-13,15,17-18H,3-9,14H2,1-2H3,(H,26,28);8,11-13,15,18-19H,3-7,9-10,14H2,1-2H3,(H,26,28);9-12,14-15,17,24H,3-8,13H2,1-2H3,(H,25,27);7,10-14,17H,5-6,8-9H2,1-4H3,(H,24,26);7-13,16,21H,2-6H2,1H3,(H,24,26)
InChIKey	VPKBGAUFGFLZJV-UHFFFAOYSA-N
XLogP	20.41
TPSA	386.70 Å²
H-Bond Donors	7
H-Bond Acceptors	24
Rotatable Bonds	29
Heavy Atoms	141
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1954.59
LogP ≤ 5	20.41
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Analyze 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-methylsulfonylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(propylsulfamoyl)phenyl]pyrimidine-4-carboxamide;N-(2,4-dimethylphenyl)-6-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-methylsulfonylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(propylsulfamoyl)phenyl]pyrimidine-4-carboxamide;N-(2,4-dimethylphenyl)-6-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxamide?

The IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-methylsulfonylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(propylsulfamoyl)phenyl]pyrimidine-4-carboxamide;N-(2,4-dimethylphenyl)-6-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxamide (CID 161362747) is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-methylsulfonylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(propylsulfamoyl)phenyl]pyrimidine-4-carboxamide;N-(2,4-dimethylphenyl)-6-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxamide.

What is the SMILES notation for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-methylsulfonylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(propylsulfamoyl)phenyl]pyrimidine-4-carboxamide;N-(2,4-dimethylphenyl)-6-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxamide?

The canonical SMILES for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-methylsulfonylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(propylsulfamoyl)phenyl]pyrimidine-4-carboxamide;N-(2,4-dimethylphenyl)-6-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxamide is CCCNS(=O)(=O)c1ccc(NC(=O)c2cc(N(C)C3CCCCC3)ncn2)cc1.CN(c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1)C1CCCCC1.Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1.Cc1ccc(NC(=O)c2cc(N(C)C3CCC(C)CC3)ncn2)c(C)c1.Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1.

What is the InChIKey of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-methylsulfonylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(propylsulfamoyl)phenyl]pyrimidine-4-carboxamide;N-(2,4-dimethylphenyl)-6-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxamide?

The InChIKey is VPKBGAUFGFLZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S.C23H30N4O.C21H29N5O3S.C21H28N4O.C20H23N5O/c1-16-12-19(31(2,29)30)10-11-20(16)26-23(28)21-13-22(25-15-24-21)27(14-17-8-9-17)18-6-4-3-5-7-18;1-16-8-11-20(17(2)12-16)26-23(28)21-13-22(25-15-24-21)27(14-18-9-10-18)19-6-4-3-5-7-19;1-3-13-24-30(28,29)18-11-9-16(10-12-18)25-21(27)19-14-20(23-15-22-19)26(2)17-7-5-4-6-8-17;1-14-5-8-17(9-6-14)25(4)20-12-19(22-13-23-20)21(26)24-18-10-7-15(2)11-16(18)3;1-25(16-5-3-2-4-6-16)19-12-18(22-13-23-19)20(26)24-15-7-8-17-14(11-15)9-10-21-17/h10-13,15,17-18H,3-9,14H2,1-2H3,(H,26,28);8,11-13,15,18-19H,3-7,9-10,14H2,1-2H3,(H,26,28);9-12,14-15,17,24H,3-8,13H2,1-2H3,(H,25,27);7,10-14,17H,5-6,8-9H2,1-4H3,(H,24,26);7-13,16,21H,2-6H2,1H3,(H,24,26).

What are the key properties of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-methylsulfonylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(propylsulfamoyl)phenyl]pyrimidine-4-carboxamide;N-(2,4-dimethylphenyl)-6-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxamide?

Where does this data come from?

All data for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-methylsulfonylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(propylsulfamoyl)phenyl]pyrimidine-4-carboxamide;N-(2,4-dimethylphenyl)-6-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 161362747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).