4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine

C81H61Cl2F2N23S4 — CID 157382429

IUPAC4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cc(Cl)c(Sc3ccncc3)c(Cl)c2)cc(-c2cccnc2)n1.Nc1nc(Nc2ccc(Sc3ccncc3)c(F)c2)cc(-c2ccccc2)n1.Nc1nc(Nc2ccc(Sc3ccncc3)c(F)c2)cc(-c2cccnc2)n1.Nc1nc(Nc2ccc(Sc3ccncc3)cc2)cc(-c2cccnc2)n1
InChIInChI=1S/C21H16FN5S.C20H14Cl2N6S.C20H15FN6S.C20H16N6S/c22-17-12-15(6-7-19(17)28-16-8-10-24-11-9-16)25-20-13-18(26-21(23)27-20)14-4-2-1-3-5-14;21-15-8-13(9-16(22)19(15)29-14-3-6-24-7-4-14)26-18-10-17(27-20(23)28-18)12-2-1-5-25-11-12;21-16-10-14(3-4-18(16)28-15-5-8-23-9-6-15)25-19-11-17(26-20(22)27-19)13-2-1-7-24-12-13;21-20-25-18(14-2-1-9-23-13-14)12-19(26-20)24-15-3-5-16(6-4-15)27-17-7-10-22-11-8-17/h1-13H,(H3,23,25,26,27);1-11H,(H3,23,26,27,28);1-12H,(H3,22,25,26,27);1-13H,(H3,21,24,25,26)
InChIKeyBLARNEWJOTYFON-UHFFFAOYSA-N
MW1593.71 g/mol
LogP19.83
Rot. Bonds20

About 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine

4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine (PubChem CID 157382429) has the molecular formula C81H61Cl2F2N23S4 and a molecular weight of 1593.71 g/mol. Its IUPAC name is 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
PubChem CID157382429
Molecular FormulaC81H61Cl2F2N23S4
Molecular Weight1593.71 g/mol
Exact Mass1591.37
IUPAC Name4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cc(Cl)c(Sc3ccncc3)c(Cl)c2)cc(-c2cccnc2)n1.Nc1nc(Nc2ccc(Sc3ccncc3)c(F)c2)cc(-c2ccccc2)n1.Nc1nc(Nc2ccc(Sc3ccncc3)c(F)c2)cc(-c2cccnc2)n1.Nc1nc(Nc2ccc(Sc3ccncc3)cc2)cc(-c2cccnc2)n1
InChIInChI=1S/C21H16FN5S.C20H14Cl2N6S.C20H15FN6S.C20H16N6S/c22-17-12-15(6-7-19(17)28-16-8-10-24-11-9-16)25-20-13-18(26-21(23)27-20)14-4-2-1-3-5-14;21-15-8-13(9-16(22)19(15)29-14-3-6-24-7-4-14)26-18-10-17(27-20(23)28-18)12-2-1-5-25-11-12;21-16-10-14(3-4-18(16)28-15-5-8-23-9-6-15)25-19-11-17(26-20(22)27-19)13-2-1-7-24-12-13;21-20-25-18(14-2-1-9-23-13-14)12-19(26-20)24-15-3-5-16(6-4-15)27-17-7-10-22-11-8-17/h1-13H,(H3,23,25,26,27);1-11H,(H3,23,26,27,28);1-12H,(H3,22,25,26,27);1-13H,(H3,21,24,25,26)
InChIKeyBLARNEWJOTYFON-UHFFFAOYSA-N
XLogP19.83
TPSA345.55 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001593.71
LogP ≤ 519.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine
CID 10238072
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
4-[4-[4-[(2-chlorophenyl)sulfanylamino]-2-fluorophenyl]sulfanyl-3-pyridinyl]-N-cyclohexylpyrimidin-2-amine
CID 172263581
4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 10288180
4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine
CID 20819954
4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine
CID 22324287
4-N-(3-chloro-5-methyl-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine
CID 142269164
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-(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;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine
CID 157144069
4-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]sulfanylphenol;4-chloro-6-[(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)methyl]pyrimidin-2-amine;4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;6-pyridin-4-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
CID 157315978
[4-(3,5-Dichloro-4-pyridin-4-ylsulfanylanilino)-6-pyridin-3-ylpyrimidin-2-yl]-methylidyneazanium
CID 157934169
2-Chloro-4-phenylpyrimidine;2,4-dichloropyrimidine;5-iodo-2-(4-methylpiperazin-1-yl)-4-phenylpyrimidine;2-(4-methylpiperazin-1-yl)-4-phenylpyrimidine;3-[2-(4-methylpiperazin-1-yl)-4-phenylpyrimidin-5-yl]sulfanylaniline
CID 158106957
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

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine (CID 157382429) is 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine is Nc1nc(Nc2cc(Cl)c(Sc3ccncc3)c(Cl)c2)cc(-c2cccnc2)n1.Nc1nc(Nc2ccc(Sc3ccncc3)c(F)c2)cc(-c2ccccc2)n1.Nc1nc(Nc2ccc(Sc3ccncc3)c(F)c2)cc(-c2cccnc2)n1.Nc1nc(Nc2ccc(Sc3ccncc3)cc2)cc(-c2cccnc2)n1.
What is the InChIKey of 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The InChIKey is BLARNEWJOTYFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5S.C20H14Cl2N6S.C20H15FN6S.C20H16N6S/c22-17-12-15(6-7-19(17)28-16-8-10-24-11-9-16)25-20-13-18(26-21(23)27-20)14-4-2-1-3-5-14;21-15-8-13(9-16(22)19(15)29-14-3-6-24-7-4-14)26-18-10-17(27-20(23)28-18)12-2-1-5-25-11-12;21-16-10-14(3-4-18(16)28-15-5-8-23-9-6-15)25-19-11-17(26-20(22)27-19)13-2-1-7-24-12-13;21-20-25-18(14-2-1-9-23-13-14)12-19(26-20)24-15-3-5-16(6-4-15)27-17-7-10-22-11-8-17/h1-13H,(H3,23,25,26,27);1-11H,(H3,23,26,27,28);1-12H,(H3,22,25,26,27);1-13H,(H3,21,24,25,26).
What are the key properties of 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine has a molecular weight of 1593.71 g/mol, XLogP of 19.83, 20 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 157382429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).