6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(2,5-difluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methyl-2-N-phenylpyrimidine-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

C117H111F4N31S5 — CID 159936832

IUPAC6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(2,5-difluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methyl-2-N-phenylpyrimidine-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
SMILESCC(C)(C)c1cc(Nc2ccc(Sc3ccncc3)cc2)nc(N)n1.Cc1cc(Nc2cc(F)c(Sc3ccncc3)cc2F)nc(N)n1.Cc1cc(Nc2ccc(Sc3ccncc3)c(F)c2)nc(Nc2ccccc2)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
InChIInChI=1S/C22H18FN5S.C21H20N6.C20H20FN5S.C19H19N5S.C19H21N5S.C16H13F2N5S/c1-15-13-21(28-22(25-15)27-16-5-3-2-4-6-16)26-17-7-8-20(19(23)14-17)29-18-9-11-24-12-10-18;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;1-9-6-15(23-16(19)21-9)22-13-7-12(18)14(8-11(13)17)24-10-2-4-20-5-3-10/h2-14H,1H3,(H2,25,26,27,28);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);2-8H,1H3,(H3,19,21,22,23)
InChIKeyOAIXHUQRYXZXRN-UHFFFAOYSA-N
MW2187.72 g/mol
LogP27.54
Rot. Bonds25

About 6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(2,5-difluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methyl-2-N-phenylpyrimidine-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

6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(2,5-difluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methyl-2-N-phenylpyrimidine-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 159936832) has the molecular formula C117H111F4N31S5 and a molecular weight of 2187.72 g/mol. Its IUPAC name is 6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(2,5-difluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methyl-2-N-phenylpyrimidine-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.

Molecular Properties

Compound Name6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(2,5-difluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methyl-2-N-phenylpyrimidine-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 CID159936832
Molecular FormulaC117H111F4N31S5
Molecular Weight2187.72 g/mol
Exact Mass2185.82
IUPAC Name6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(2,5-difluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methyl-2-N-phenylpyrimidine-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
SMILESCC(C)(C)c1cc(Nc2ccc(Sc3ccncc3)cc2)nc(N)n1.Cc1cc(Nc2cc(F)c(Sc3ccncc3)cc2F)nc(N)n1.Cc1cc(Nc2ccc(Sc3ccncc3)c(F)c2)nc(Nc2ccccc2)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
InChIInChI=1S/C22H18FN5S.C21H20N6.C20H20FN5S.C19H19N5S.C19H21N5S.C16H13F2N5S/c1-15-13-21(28-22(25-15)27-16-5-3-2-4-6-16)26-17-7-8-20(19(23)14-17)29-18-9-11-24-12-10-18;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;1-9-6-15(23-16(19)21-9)22-13-7-12(18)14(8-11(13)17)24-10-2-4-20-5-3-10/h2-14H,1H3,(H2,25,26,27,28);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);2-8H,1H3,(H3,19,21,22,23)
InChIKeyOAIXHUQRYXZXRN-UHFFFAOYSA-N
XLogP27.54
TPSA451.26 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds25
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002187.72
LogP ≤ 527.54
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze 6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(2,5-difluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methyl-2-N-phenylpyrimidine-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 with MolForge

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Launch Full Analysis

Related Compounds

4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-4-N-[4-(2-pyridin-4-ylethyl)phenyl]pyrimidine-2,4-diamine;6-methyl-4-N-[4-(pyridin-4-ylmethylsulfanyl)phenyl]pyrimidine-2,4-diamine;6-methyl-4-N-[4-(pyridin-4-ylsulfanylmethyl)phenyl]pyrimidine-2,4-diamine;6-methyl-4-N-[4-pyridin-4-ylsulfanyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 161991686
Benzene;cyclohexa-1,3-dien-1-yl-[3-[2-[6-(14,14-dimethyl-21-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-3-pyridinyl]-6-phenyl-1,6-dihydropyrimidin-4-yl]phenyl]-diphenyl-lambda4-sulfane;ethane
CID 144229112
15-(14,14-Dimethyl-21-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-8-thia-3,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 146414089
10-[9-[2-[3,5-Bis[4-(3-phenothiazin-10-ylcarbazol-9-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]phenothiazine
CID 153482889
2-(9,9-diphenylacridin-10-yl)-6-phenothiazin-10-yl-N-(4-pyridin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine;2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-6-phenothiazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-(4-pyrimidin-5-ylphenyl)pyridin-4-amine;2-(3,6-diphenylcarbazol-9-yl)-6-phenothiazin-10-yl-N-(4-pyridin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine
CID 157476412
6-tert-butyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane
CID 158187908
6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;5-chloro-6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;5-chloro-6-methyl-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
CID 158611749
5-chloro-6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;5-chloro-6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine
CID 158620944
6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane;4-N-(1-pyridin-4-ylindol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
CID 158716958
4-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-2-(2-fluorophenyl)quinazoline;bis(1-[3-fluoro-2-(2-fluorophenyl)quinolin-4-yl]-5-methyl-3,4-dihydro-2H-1,6-naphthyridine);1-[3-fluoro-2-(3-fluorophenyl)quinolin-4-yl]pyrrolo[3,2-c]pyridin-6-amine;2-(2-fluorophenyl)-N-methyl-4-(5-methyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)quinazolin-7-amine
CID 158888618
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
5-chloro-6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-ethyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(4-quinolin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine
CID 158988965

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(2,5-difluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methyl-2-N-phenylpyrimidine-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 6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(2,5-difluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methyl-2-N-phenylpyrimidine-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 159936832) is 6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(2,5-difluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methyl-2-N-phenylpyrimidine-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 6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(2,5-difluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methyl-2-N-phenylpyrimidine-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 6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(2,5-difluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methyl-2-N-phenylpyrimidine-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.Cc1cc(Nc2cc(F)c(Sc3ccncc3)cc2F)nc(N)n1.Cc1cc(Nc2ccc(Sc3ccncc3)c(F)c2)nc(Nc2ccccc2)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 6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(2,5-difluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methyl-2-N-phenylpyrimidine-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 OAIXHUQRYXZXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5S.C21H20N6.C20H20FN5S.C19H19N5S.C19H21N5S.C16H13F2N5S/c1-15-13-21(28-22(25-15)27-16-5-3-2-4-6-16)26-17-7-8-20(19(23)14-17)29-18-9-11-24-12-10-18;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;1-9-6-15(23-16(19)21-9)22-13-7-12(18)14(8-11(13)17)24-10-2-4-20-5-3-10/h2-14H,1H3,(H2,25,26,27,28);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);2-8H,1H3,(H3,19,21,22,23).
What are the key properties of 6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(2,5-difluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methyl-2-N-phenylpyrimidine-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?
6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(2,5-difluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methyl-2-N-phenylpyrimidine-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 2187.72 g/mol, XLogP of 27.54, 25 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(2,5-difluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methyl-2-N-phenylpyrimidine-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 159936832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).