4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine

C81H83Cl2F2N21O3S — CID 158540895

About 4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine

4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine (PubChem CID 158540895) has the molecular formula C81H83Cl2F2N21O3S and a molecular weight of 1539.67 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine
• PubChem CID: 158540895
• Molecular Formula: C81H83Cl2F2N21O3S
• Molecular Weight: 1539.67 g/mol
• Exact Mass: 1537.61
• IUPAC Name: 4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine
• SMILES: CNc1cc(-c2cc(F)cc(F)c2)nc(N)n1.COc1ccc(CCNc2cc(-c3cccc(C)c3C)nc(N)n2)cc1.Cc1cccc(-c2nc(N)nc3c2CCCN3)c1C.Nc1nc2c(c(-c3cccc(Cl)c3Cl)n1)CCCN2.Nc1nc2c(c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n1)CCCN2
• InChI: InChI=1S/C21H19N5O2S.C21H24N4O.C15H18N4.C13H12Cl2N4.C11H10F2N4/c22-21-24-19(16-10-6-12-23-20(16)25-21)17-13-26(18-11-5-4-9-15(17)18)29(27,28)14-7-2-1-3-8-14;1-14-5-4-6-18(15(14)2)19-13-20(25-21(22)24-19)23-12-11-16-7-9-17(26-3)10-8-16;1-9-5-3-6-11(10(9)2)13-12-7-4-8-17-14(12)19-15(16)18-13;14-9-5-1-3-7(10(9)15)11-8-4-2-6-17-12(8)19-13(16)18-11;1-15-10-5-9(16-11(14)17-10)6-2-7(12)4-8(13)3-6/h1-5,7-9,11,13H,6,10,12H2,(H3,22,23,24,25);4-10,13H,11-12H2,1-3H3,(H3,22,23,24,25);3,5-6H,4,7-8H2,1-2H3,(H3,16,17,18,19);1,3,5H,2,4,6H2,(H3,16,17,18,19);2-5H,1H3,(H3,14,15,16,17)
• InChIKey: HOMUBVCIBYHSLA-UHFFFAOYSA-N
• XLogP: 15.42
• TPSA: 367.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1539.67
LogP ≤ 5	15.42
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine?

The IUPAC name of 4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine (CID 158540895) is 4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for 4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine?

The canonical SMILES for 4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine is CNc1cc(-c2cc(F)cc(F)c2)nc(N)n1.COc1ccc(CCNc2cc(-c3cccc(C)c3C)nc(N)n2)cc1.Cc1cccc(-c2nc(N)nc3c2CCCN3)c1C.Nc1nc2c(c(-c3cccc(Cl)c3Cl)n1)CCCN2.Nc1nc2c(c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n1)CCCN2.

What is the InChIKey of 4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine?

The InChIKey is HOMUBVCIBYHSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S.C21H24N4O.C15H18N4.C13H12Cl2N4.C11H10F2N4/c22-21-24-19(16-10-6-12-23-20(16)25-21)17-13-26(18-11-5-4-9-15(17)18)29(27,28)14-7-2-1-3-8-14;1-14-5-4-6-18(15(14)2)19-13-20(25-21(22)24-19)23-12-11-16-7-9-17(26-3)10-8-16;1-9-5-3-6-11(10(9)2)13-12-7-4-8-17-14(12)19-15(16)18-13;14-9-5-1-3-7(10(9)15)11-8-4-2-6-17-12(8)19-13(16)18-11;1-15-10-5-9(16-11(14)17-10)6-2-7(12)4-8(13)3-6/h1-5,7-9,11,13H,6,10,12H2,(H3,22,23,24,25);4-10,13H,11-12H2,1-3H3,(H3,22,23,24,25);3,5-6H,4,7-8H2,1-2H3,(H3,16,17,18,19);1,3,5H,2,4,6H2,(H3,16,17,18,19);2-5H,1H3,(H3,14,15,16,17).

What are the key properties of 4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine?

4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 1539.67 g/mol, XLogP of 15.42, 13 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 158540895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).