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;4-(3,5-difluorophenyl)-6-ethylpyrimidin-2-amine;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;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine

C103H108Cl2F2N24O4S — CID 158687756

IUPAC4-[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;4-(3,5-difluorophenyl)-6-ethylpyrimidin-2-amine;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;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine
SMILESCCc1cc(-c2cc(F)cc(F)c2)nc(N)n1.COc1ccc(CCNc2cc(-c3cccc(C)c3C)nc(N)n2)cc1.COc1ccccc1CCNc1cc(-c2cccc(C)c2C)nc(N)n1.Cc1cccc(-c2nc(N)nc3c2CCCN3)c1C.Nc1nc2c(c(-c3cccc(Cl)c3Cl)n1)CCCN2.Nc1nc2c(c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n1)CCCN2
InChIInChI=1S/C21H19N5O2S.2C21H24N4O.C15H18N4.C13H12Cl2N4.C12H11F2N3/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;1-14-7-6-9-17(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;1-9-5-3-6-11(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;1-2-10-6-11(17-12(15)16-10)7-3-8(13)5-9(14)4-7/h1-5,7-9,11,13H,6,10,12H2,(H3,22,23,24,25);2*4-10,13H,11-12H2,1-3H3,(H3,22,23,24,25);3,5-6H,4,7-8H2,1-2H3,(H3,16,17,18,19);1,3,5H,2,4,6H2,(H3,16,17,18,19);3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyIFYLZPGIJKJUTG-UHFFFAOYSA-N
MW1887.13 g/mol
LogP19.95
Rot. Bonds19

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;4-(3,5-difluorophenyl)-6-ethylpyrimidin-2-amine;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;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;4-(3,5-difluorophenyl)-6-ethylpyrimidin-2-amine;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;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine (PubChem CID 158687756) has the molecular formula C103H108Cl2F2N24O4S and a molecular weight of 1887.13 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;4-(3,5-difluorophenyl)-6-ethylpyrimidin-2-amine;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;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[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;4-(3,5-difluorophenyl)-6-ethylpyrimidin-2-amine;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;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine
PubChem CID158687756
Molecular FormulaC103H108Cl2F2N24O4S
Molecular Weight1887.13 g/mol
Exact Mass1884.81
IUPAC Name4-[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;4-(3,5-difluorophenyl)-6-ethylpyrimidin-2-amine;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;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine
SMILESCCc1cc(-c2cc(F)cc(F)c2)nc(N)n1.COc1ccc(CCNc2cc(-c3cccc(C)c3C)nc(N)n2)cc1.COc1ccccc1CCNc1cc(-c2cccc(C)c2C)nc(N)n1.Cc1cccc(-c2nc(N)nc3c2CCCN3)c1C.Nc1nc2c(c(-c3cccc(Cl)c3Cl)n1)CCCN2.Nc1nc2c(c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n1)CCCN2
InChIInChI=1S/C21H19N5O2S.2C21H24N4O.C15H18N4.C13H12Cl2N4.C12H11F2N3/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;1-14-7-6-9-17(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;1-9-5-3-6-11(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;1-2-10-6-11(17-12(15)16-10)7-3-8(13)5-9(14)4-7/h1-5,7-9,11,13H,6,10,12H2,(H3,22,23,24,25);2*4-10,13H,11-12H2,1-3H3,(H3,22,23,24,25);3,5-6H,4,7-8H2,1-2H3,(H3,16,17,18,19);1,3,5H,2,4,6H2,(H3,16,17,18,19);3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyIFYLZPGIJKJUTG-UHFFFAOYSA-N
XLogP19.95
TPSA428.48 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001887.13
LogP ≤ 519.95
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Analyze 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;4-(3,5-difluorophenyl)-6-ethylpyrimidin-2-amine;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;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]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-(2,3-dichlorophenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine;4-(3,5-difluorophenyl)-6-ethylpyrimidin-2-amine;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;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;4-(3,5-difluorophenyl)-6-ethylpyrimidin-2-amine;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;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine (CID 158687756) 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;4-(3,5-difluorophenyl)-6-ethylpyrimidin-2-amine;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;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;4-(3,5-difluorophenyl)-6-ethylpyrimidin-2-amine;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;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;4-(3,5-difluorophenyl)-6-ethylpyrimidin-2-amine;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;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine is CCc1cc(-c2cc(F)cc(F)c2)nc(N)n1.COc1ccc(CCNc2cc(-c3cccc(C)c3C)nc(N)n2)cc1.COc1ccccc1CCNc1cc(-c2cccc(C)c2C)nc(N)n1.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;4-(3,5-difluorophenyl)-6-ethylpyrimidin-2-amine;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;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is IFYLZPGIJKJUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S.2C21H24N4O.C15H18N4.C13H12Cl2N4.C12H11F2N3/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;1-14-7-6-9-17(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;1-9-5-3-6-11(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;1-2-10-6-11(17-12(15)16-10)7-3-8(13)5-9(14)4-7/h1-5,7-9,11,13H,6,10,12H2,(H3,22,23,24,25);2*4-10,13H,11-12H2,1-3H3,(H3,22,23,24,25);3,5-6H,4,7-8H2,1-2H3,(H3,16,17,18,19);1,3,5H,2,4,6H2,(H3,16,17,18,19);3-6H,2H2,1H3,(H2,15,16,17).
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;4-(3,5-difluorophenyl)-6-ethylpyrimidin-2-amine;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;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;4-(3,5-difluorophenyl)-6-ethylpyrimidin-2-amine;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;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 1887.13 g/mol, XLogP of 19.95, 19 rotatable bonds, 11 hydrogen bond donors, and 28 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;4-(3,5-difluorophenyl)-6-ethylpyrimidin-2-amine;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;4-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 158687756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).