About 2-benzyl-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidin-4-amine;6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-ethyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
2-benzyl-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidin-4-amine;6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-ethyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine (PubChem CID 158948908) has the molecular formula C119H116F2N30S5
and a molecular weight of 2164.78 g/mol. Its IUPAC name is 2-benzyl-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidin-4-amine;6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-ethyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine.
Frequently Asked Questions
What is the IUPAC name of 2-benzyl-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidin-4-amine;6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-ethyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The IUPAC name of 2-benzyl-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidin-4-amine;6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-ethyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine (CID 158948908) is 2-benzyl-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidin-4-amine;6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-ethyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine.
What is the SMILES notation for 2-benzyl-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidin-4-amine;6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-ethyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The canonical SMILES for 2-benzyl-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidin-4-amine;6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-ethyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine is CC(C)(C)c1cc(Nc2ccc(Sc3ccncc3)cc2)nc(N)n1.CCc1cc(Nc2ccc(Sc3ccncc3)cc2)nc(N)n1.Cc1cc(Nc2ccc(Sc3ccncc3)c(F)c2)nc(Cc2ccccc2)n1.Nc1nc2c(c(Nc3ccc(Sc4ccncc4)c(F)c3)n1)CCCCC2.Nc1nc2c(c(Nc3ccc(Sc4ccncc4)cc3)n1)CCCC2.Nc1nc2c(c(Nc3ccc4c(ccn4-c4ccncc4)c3)n1)CCCC2.
What is the InChIKey of 2-benzyl-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidin-4-amine;6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-ethyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The InChIKey is JLECKIDBRIDYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4S.C21H20N6.C20H20FN5S.C19H19N5S.C19H21N5S.C17H17N5S/c1-16-13-22(28-23(26-16)14-17-5-3-2-4-6-17)27-18-7-8-21(20(24)15-18)29-19-9-11-25-12-10-19;22-21-25-18-4-2-1-3-17(18)20(26-21)24-15-5-6-19-14(13-15)9-12-27(19)16-7-10-23-11-8-16;21-16-12-13(6-7-18(16)27-14-8-10-23-11-9-14)24-19-15-4-2-1-3-5-17(15)25-20(22)26-19;20-19-23-17-4-2-1-3-16(17)18(24-19)22-13-5-7-14(8-6-13)25-15-9-11-21-12-10-15;1-19(2,3)16-12-17(24-18(20)23-16)22-13-4-6-14(7-5-13)25-15-8-10-21-11-9-15;1-2-12-11-16(22-17(18)21-12)20-13-3-5-14(6-4-13)23-15-7-9-19-10-8-15/h2-13,15H,14H2,1H3,(H,26,27,28);5-13H,1-4H2,(H3,22,24,25,26);6-12H,1-5H2,(H3,22,24,25,26);5-12H,1-4H2,(H3,20,22,23,24);4-12H,1-3H3,(H3,20,22,23,24);3-11H,2H2,1H3,(H3,18,20,21,22).
What are the key properties of 2-benzyl-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidin-4-amine;6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-ethyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
2-benzyl-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidin-4-amine;6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-ethyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine has a molecular weight of 2164.78 g/mol, XLogP of 27.37, 26 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidin-4-amine;6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-ethyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine is sourced from PubChem (CID 158948908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).