4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclohexyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]pyrimidine-2,4-diamine

C106H116F3N21O6S3 — CID 159572235

IUPAC4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclohexyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]pyrimidine-2,4-diamine
SMILESCNc1cc(-c2cn(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3ccccc23)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC4CCCC4)nc(N)n3)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC4CCCCC4)nc(N)n3)c3ccccc32)cc1.Cc1cccc(-c2cc(CC3CCCC3)nc(N)n2)c1C.Cc1cccc(-c2cc(CC3CCCCC3)nc(N)n2)c1C
InChIInChI=1S/C25H27N5O2S.C24H25N5O2S.C20H16F3N5O2S.C19H25N3.C18H23N3/c1-17-11-13-19(14-12-17)33(31,32)30-16-21(20-9-5-6-10-23(20)30)22-15-24(29-25(26)28-22)27-18-7-3-2-4-8-18;1-16-10-12-18(13-11-16)32(30,31)29-15-20(19-8-4-5-9-22(19)29)21-14-23(28-24(25)27-21)26-17-6-2-3-7-17;1-25-18-10-16(26-19(24)27-18)15-11-28(17-5-3-2-4-14(15)17)31(29,30)13-8-6-12(7-9-13)20(21,22)23;1-13-7-6-10-17(14(13)2)18-12-16(21-19(20)22-18)11-15-8-4-3-5-9-15;1-12-6-5-9-16(13(12)2)17-11-15(20-18(19)21-17)10-14-7-3-4-8-14/h5-6,9-16,18H,2-4,7-8H2,1H3,(H3,26,27,28,29);4-5,8-15,17H,2-3,6-7H2,1H3,(H3,25,26,27,28);2-11H,1H3,(H3,24,25,26,27);6-7,10,12,15H,3-5,8-9,11H2,1-2H3,(H2,20,21,22);5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H2,19,20,21)
InChIKeyMHYSYRFUZOUQFL-UHFFFAOYSA-N
MW1933.43 g/mol
LogP22.07
Rot. Bonds20

About 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclohexyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]pyrimidine-2,4-diamine

4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclohexyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]pyrimidine-2,4-diamine (PubChem CID 159572235) has the molecular formula C106H116F3N21O6S3 and a molecular weight of 1933.43 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclohexyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclohexyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]pyrimidine-2,4-diamine
PubChem CID159572235
Molecular FormulaC106H116F3N21O6S3
Molecular Weight1933.43 g/mol
Exact Mass1931.85
IUPAC Name4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclohexyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]pyrimidine-2,4-diamine
SMILESCNc1cc(-c2cn(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3ccccc23)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC4CCCC4)nc(N)n3)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC4CCCCC4)nc(N)n3)c3ccccc32)cc1.Cc1cccc(-c2cc(CC3CCCC3)nc(N)n2)c1C.Cc1cccc(-c2cc(CC3CCCCC3)nc(N)n2)c1C
InChIInChI=1S/C25H27N5O2S.C24H25N5O2S.C20H16F3N5O2S.C19H25N3.C18H23N3/c1-17-11-13-19(14-12-17)33(31,32)30-16-21(20-9-5-6-10-23(20)30)22-15-24(29-25(26)28-22)27-18-7-3-2-4-8-18;1-16-10-12-18(13-11-16)32(30,31)29-15-20(19-8-4-5-9-22(19)29)21-14-23(28-24(25)27-21)26-17-6-2-3-7-17;1-25-18-10-16(26-19(24)27-18)15-11-28(17-5-3-2-4-14(15)17)31(29,30)13-8-6-12(7-9-13)20(21,22)23;1-13-7-6-10-17(14(13)2)18-12-16(21-19(20)22-18)11-15-8-4-3-5-9-15;1-12-6-5-9-16(13(12)2)17-11-15(20-18(19)21-17)10-14-7-3-4-8-14/h5-6,9-16,18H,2-4,7-8H2,1H3,(H3,26,27,28,29);4-5,8-15,17H,2-3,6-7H2,1H3,(H3,25,26,27,28);2-11H,1H3,(H3,24,25,26,27);6-7,10,12,15H,3-5,8-9,11H2,1-2H3,(H2,20,21,22);5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H2,19,20,21)
InChIKeyMHYSYRFUZOUQFL-UHFFFAOYSA-N
XLogP22.07
TPSA412.30 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms139
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001933.43
LogP ≤ 522.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclohexyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclohexyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclohexyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]pyrimidine-2,4-diamine (CID 159572235) is 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclohexyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclohexyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclohexyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]pyrimidine-2,4-diamine is CNc1cc(-c2cn(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3ccccc23)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC4CCCC4)nc(N)n3)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC4CCCCC4)nc(N)n3)c3ccccc32)cc1.Cc1cccc(-c2cc(CC3CCCC3)nc(N)n2)c1C.Cc1cccc(-c2cc(CC3CCCCC3)nc(N)n2)c1C.
What is the InChIKey of 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclohexyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]pyrimidine-2,4-diamine?
The InChIKey is MHYSYRFUZOUQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2S.C24H25N5O2S.C20H16F3N5O2S.C19H25N3.C18H23N3/c1-17-11-13-19(14-12-17)33(31,32)30-16-21(20-9-5-6-10-23(20)30)22-15-24(29-25(26)28-22)27-18-7-3-2-4-8-18;1-16-10-12-18(13-11-16)32(30,31)29-15-20(19-8-4-5-9-22(19)29)21-14-23(28-24(25)27-21)26-17-6-2-3-7-17;1-25-18-10-16(26-19(24)27-18)15-11-28(17-5-3-2-4-14(15)17)31(29,30)13-8-6-12(7-9-13)20(21,22)23;1-13-7-6-10-17(14(13)2)18-12-16(21-19(20)22-18)11-15-8-4-3-5-9-15;1-12-6-5-9-16(13(12)2)17-11-15(20-18(19)21-17)10-14-7-3-4-8-14/h5-6,9-16,18H,2-4,7-8H2,1H3,(H3,26,27,28,29);4-5,8-15,17H,2-3,6-7H2,1H3,(H3,25,26,27,28);2-11H,1H3,(H3,24,25,26,27);6-7,10,12,15H,3-5,8-9,11H2,1-2H3,(H2,20,21,22);5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H2,19,20,21).
What are the key properties of 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclohexyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]pyrimidine-2,4-diamine?
4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclohexyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]pyrimidine-2,4-diamine has a molecular weight of 1933.43 g/mol, XLogP of 22.07, 20 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclohexyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159572235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).