4-(cyclobutylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclobutyl-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

C102H108F3N21O6S3 — CID 158066726

About 4-(cyclobutylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclobutyl-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-(cyclobutylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclobutyl-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 158066726) has the molecular formula C102H108F3N21O6S3 and a molecular weight of 1877.32 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclobutyl-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 Name: 4-(cyclobutylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclobutyl-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: 158066726
• Molecular Formula: C102H108F3N21O6S3
• Molecular Weight: 1877.32 g/mol
• Exact Mass: 1875.79
• IUPAC Name: 4-(cyclobutylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclobutyl-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
• SMILES: CNc1cc(-c2cn(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3ccccc23)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC4CCC4)nc(N)n3)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC4CCCC4)nc(N)n3)c3ccccc32)cc1.Cc1cccc(-c2cc(CC3CCC3)nc(N)n2)c1C.Cc1cccc(-c2cc(CC3CCCC3)nc(N)n2)c1C
• InChI: InChI=1S/C24H25N5O2S.C23H23N5O2S.C20H16F3N5O2S.C18H23N3.C17H21N3/c1-16-10-12-18(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;1-15-9-11-17(12-10-15)31(29,30)28-14-19(18-7-2-3-8-21(18)28)20-13-22(27-23(24)26-20)25-16-5-4-6-16;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;1-12-6-5-9-16(13(12)2)17-11-15(20-18(19)21-17)10-14-7-3-4-8-14;1-11-5-3-8-15(12(11)2)16-10-14(19-17(18)20-16)9-13-6-4-7-13/h4-5,8-15,17H,2-3,6-7H2,1H3,(H3,25,26,27,28);2-3,7-14,16H,4-6H2,1H3,(H3,24,25,26,27);2-11H,1H3,(H3,24,25,26,27);5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H2,19,20,21);3,5,8,10,13H,4,6-7,9H2,1-2H3,(H2,18,19,20)
• InChIKey: FLHXMWVQEMWYCR-UHFFFAOYSA-N
• XLogP: 20.51
• TPSA: 412.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1877.32
LogP ≤ 5	20.51
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclobutyl-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-(cyclobutylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclobutyl-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 158066726) is 4-(cyclobutylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclobutyl-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-(cyclobutylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclobutyl-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-(cyclobutylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclobutyl-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(NC4CCC4)nc(N)n3)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC4CCCC4)nc(N)n3)c3ccccc32)cc1.Cc1cccc(-c2cc(CC3CCC3)nc(N)n2)c1C.Cc1cccc(-c2cc(CC3CCCC3)nc(N)n2)c1C.

What is the InChIKey of 4-(cyclobutylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclobutyl-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 FLHXMWVQEMWYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S.C23H23N5O2S.C20H16F3N5O2S.C18H23N3.C17H21N3/c1-16-10-12-18(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;1-15-9-11-17(12-10-15)31(29,30)28-14-19(18-7-2-3-8-21(18)28)20-13-22(27-23(24)26-20)25-16-5-4-6-16;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;1-12-6-5-9-16(13(12)2)17-11-15(20-18(19)21-17)10-14-7-3-4-8-14;1-11-5-3-8-15(12(11)2)16-10-14(19-17(18)20-16)9-13-6-4-7-13/h4-5,8-15,17H,2-3,6-7H2,1H3,(H3,25,26,27,28);2-3,7-14,16H,4-6H2,1H3,(H3,24,25,26,27);2-11H,1H3,(H3,24,25,26,27);5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H2,19,20,21);3,5,8,10,13H,4,6-7,9H2,1-2H3,(H2,18,19,20).

What are the key properties of 4-(cyclobutylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclobutyl-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-(cyclobutylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclobutyl-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 1877.32 g/mol, XLogP of 20.51, 20 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclobutylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclobutyl-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 158066726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).