4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine

C75H74Cl5F6N19O3S — CID 160680163

About 4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine

4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine (PubChem CID 160680163) has the molecular formula C75H74Cl5F6N19O3S and a molecular weight of 1612.87 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
• PubChem CID: 160680163
• Molecular Formula: C75H74Cl5F6N19O3S
• Molecular Weight: 1612.87 g/mol
• Exact Mass: 1609.43
• IUPAC Name: 4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
• SMILES: CC(C)(C)Cc1cc(-c2cccc(Cl)c2)nc(N)n1.CNc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)nc(N)n1.Nc1nc(CC2CCOCC2)cc(-c2cccc(Cl)c2)n1.Nc1nc(NCC(F)(F)F)cc(-c2cccc(Cl)c2)n1.Nc1nc(NCC(F)(F)F)cc(-c2cccc(Cl)c2Cl)n1
• InChI: InChI=1S/C20H19N5O2S.C16H18ClN3O.C15H18ClN3.C12H9Cl2F3N4.C12H10ClF3N4/c1-13-7-9-14(10-8-13)28(26,27)25-12-16(15-5-3-4-6-18(15)25)17-11-19(22-2)24-20(21)23-17;17-13-3-1-2-12(9-13)15-10-14(19-16(18)20-15)8-11-4-6-21-7-5-11;1-15(2,3)9-12-8-13(19-14(17)18-12)10-5-4-6-11(16)7-10;13-7-3-1-2-6(10(7)14)8-4-9(21-11(18)20-8)19-5-12(15,16)17;13-8-3-1-2-7(4-8)9-5-10(20-11(17)19-9)18-6-12(14,15)16/h3-12H,1-2H3,(H3,21,22,23,24);1-3,9-11H,4-8H2,(H2,18,19,20);4-8H,9H2,1-3H3,(H2,17,18,19);1-4H,5H2,(H3,18,19,20,21);1-5H,6H2,(H3,17,18,19,20)
• InChIKey: ROAPIADESVMRST-UHFFFAOYSA-N
• XLogP: 17.94
• TPSA: 343.39 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1612.87
LogP ≤ 5	17.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?

The IUPAC name of 4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine (CID 160680163) is 4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine is CC(C)(C)Cc1cc(-c2cccc(Cl)c2)nc(N)n1.CNc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)nc(N)n1.Nc1nc(CC2CCOCC2)cc(-c2cccc(Cl)c2)n1.Nc1nc(NCC(F)(F)F)cc(-c2cccc(Cl)c2)n1.Nc1nc(NCC(F)(F)F)cc(-c2cccc(Cl)c2Cl)n1.

What is the InChIKey of 4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?

The InChIKey is ROAPIADESVMRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S.C16H18ClN3O.C15H18ClN3.C12H9Cl2F3N4.C12H10ClF3N4/c1-13-7-9-14(10-8-13)28(26,27)25-12-16(15-5-3-4-6-18(15)25)17-11-19(22-2)24-20(21)23-17;17-13-3-1-2-12(9-13)15-10-14(19-16(18)20-15)8-11-4-6-21-7-5-11;1-15(2,3)9-12-8-13(19-14(17)18-12)10-5-4-6-11(16)7-10;13-7-3-1-2-6(10(7)14)8-4-9(21-11(18)20-8)19-5-12(15,16)17;13-8-3-1-2-7(4-8)9-5-10(20-11(17)19-9)18-6-12(14,15)16/h3-12H,1-2H3,(H3,21,22,23,24);1-3,9-11H,4-8H2,(H2,18,19,20);4-8H,9H2,1-3H3,(H2,17,18,19);1-4H,5H2,(H3,18,19,20,21);1-5H,6H2,(H3,17,18,19,20).

What are the key properties of 4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?

4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine has a molecular weight of 1612.87 g/mol, XLogP of 17.94, 15 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 160680163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).