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

C136H145ClF2N28O4S — CID 158446325

IUPAC4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine
SMILESCNc1cc(-c2cc(F)cc(F)c2)nc(N)n1.COc1ccc(CCNc2cc(-c3cccc(C)c3C)nc(N)n2)cc1.COc1ccccc1CCNc1cc(-c2cccc(C)c2C)nc(N)n1.Cc1ccc(CCNc2cc(-c3cccc(C)c3C)nc(N)n2)cc1.Cc1cccc(-c2cc(CCCc3ccc(Cl)cc3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCc3ccccn3)nc(N)n2)c1C.Nc1nc2c(c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n1)CCCN2
InChIInChI=1S/C21H22ClN3.C21H19N5O2S.2C21H24N4O.C21H24N4.C20H22N4.C11H10F2N4/c1-14-5-3-8-19(15(14)2)20-13-18(24-21(23)25-20)7-4-6-16-9-11-17(22)12-10-16;22-21-24-19(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;1-14-7-6-9-17(15(14)2)18-13-20(25-21(22)24-18)23-12-11-16-8-4-5-10-19(16)26-3;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;1-14-7-9-17(10-8-14)11-12-23-20-13-19(24-21(22)25-20)18-6-4-5-15(2)16(18)3;1-14-7-5-11-18(15(14)2)19-13-17(23-20(21)24-19)10-6-9-16-8-3-4-12-22-16;1-15-10-5-9(16-11(14)17-10)6-2-7(12)4-8(13)3-6/h3,5,8-13H,4,6-7H2,1-2H3,(H2,23,24,25);1-5,7-9,11,13H,6,10,12H2,(H3,22,23,24,25);2*4-10,13H,11-12H2,1-3H3,(H3,22,23,24,25);4-10,13H,11-12H2,1-3H3,(H3,22,23,24,25);3-5,7-8,11-13H,6,9-10H2,1-2H3,(H2,21,23,24);2-5H,1H3,(H3,14,15,16,17)
InChIKeyHDKZCLRNZOTQFS-UHFFFAOYSA-N
MW2341.36 g/mol
LogP26.72
Rot. Bonds32

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

4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine (PubChem CID 158446325) has the molecular formula C136H145ClF2N28O4S and a molecular weight of 2341.36 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine
PubChem CID158446325
Molecular FormulaC136H145ClF2N28O4S
Molecular Weight2341.36 g/mol
Exact Mass2339.14
IUPAC Name4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine
SMILESCNc1cc(-c2cc(F)cc(F)c2)nc(N)n1.COc1ccc(CCNc2cc(-c3cccc(C)c3C)nc(N)n2)cc1.COc1ccccc1CCNc1cc(-c2cccc(C)c2C)nc(N)n1.Cc1ccc(CCNc2cc(-c3cccc(C)c3C)nc(N)n2)cc1.Cc1cccc(-c2cc(CCCc3ccc(Cl)cc3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCc3ccccn3)nc(N)n2)c1C.Nc1nc2c(c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n1)CCCN2
InChIInChI=1S/C21H22ClN3.C21H19N5O2S.2C21H24N4O.C21H24N4.C20H22N4.C11H10F2N4/c1-14-5-3-8-19(15(14)2)20-13-18(24-21(23)25-20)7-4-6-16-9-11-17(22)12-10-16;22-21-24-19(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;1-14-7-6-9-17(15(14)2)18-13-20(25-21(22)24-18)23-12-11-16-8-4-5-10-19(16)26-3;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;1-14-7-9-17(10-8-14)11-12-23-20-13-19(24-21(22)25-20)18-6-4-5-15(2)16(18)3;1-14-7-5-11-18(15(14)2)19-13-17(23-20(21)24-19)10-6-9-16-8-3-4-12-22-16;1-15-10-5-9(16-11(14)17-10)6-2-7(12)4-8(13)3-6/h3,5,8-13H,4,6-7H2,1-2H3,(H2,23,24,25);1-5,7-9,11,13H,6,10,12H2,(H3,22,23,24,25);2*4-10,13H,11-12H2,1-3H3,(H3,22,23,24,25);4-10,13H,11-12H2,1-3H3,(H3,22,23,24,25);3-5,7-8,11-13H,6,9-10H2,1-2H3,(H2,21,23,24);2-5H,1H3,(H3,14,15,16,17)
InChIKeyHDKZCLRNZOTQFS-UHFFFAOYSA-N
XLogP26.72
TPSA493.17 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002341.36
LogP ≤ 526.72
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Analyze 4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine with MolForge

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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-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)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-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine (CID 158446325) is 4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)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-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)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-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine is CNc1cc(-c2cc(F)cc(F)c2)nc(N)n1.COc1ccc(CCNc2cc(-c3cccc(C)c3C)nc(N)n2)cc1.COc1ccccc1CCNc1cc(-c2cccc(C)c2C)nc(N)n1.Cc1ccc(CCNc2cc(-c3cccc(C)c3C)nc(N)n2)cc1.Cc1cccc(-c2cc(CCCc3ccc(Cl)cc3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCc3ccccn3)nc(N)n2)c1C.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-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine?
The InChIKey is HDKZCLRNZOTQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3.C21H19N5O2S.2C21H24N4O.C21H24N4.C20H22N4.C11H10F2N4/c1-14-5-3-8-19(15(14)2)20-13-18(24-21(23)25-20)7-4-6-16-9-11-17(22)12-10-16;22-21-24-19(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;1-14-7-6-9-17(15(14)2)18-13-20(25-21(22)24-18)23-12-11-16-8-4-5-10-19(16)26-3;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;1-14-7-9-17(10-8-14)11-12-23-20-13-19(24-21(22)25-20)18-6-4-5-15(2)16(18)3;1-14-7-5-11-18(15(14)2)19-13-17(23-20(21)24-19)10-6-9-16-8-3-4-12-22-16;1-15-10-5-9(16-11(14)17-10)6-2-7(12)4-8(13)3-6/h3,5,8-13H,4,6-7H2,1-2H3,(H2,23,24,25);1-5,7-9,11,13H,6,10,12H2,(H3,22,23,24,25);2*4-10,13H,11-12H2,1-3H3,(H3,22,23,24,25);4-10,13H,11-12H2,1-3H3,(H3,22,23,24,25);3-5,7-8,11-13H,6,9-10H2,1-2H3,(H2,21,23,24);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-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine?
4-[1-(benzenesulfonyl)indol-3-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine has a molecular weight of 2341.36 g/mol, XLogP of 26.72, 32 rotatable bonds, 12 hydrogen bond donors, and 32 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-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(3,5-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 158446325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).