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-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-pyridin-4-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine

C80H61Cl2FN24S4 — CID 159476954

IUPAC4-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-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-pyridin-4-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cc(Cl)c(Sc3ccncc3)c(Cl)c2)cc(-c2ccncc2)n1.Nc1nc(Nc2ccc(Sc3ccncc3)c(F)c2)cc(-c2ccncc2)n1.Nc1nc(Nc2ccc(Sc3ccncc3)cc2)cc(-c2cccnc2)n1.Nc1nc(Nc2ccc(Sc3ccncc3)cc2)cc(-c2ccncc2)n1
InChIInChI=1S/C20H14Cl2N6S.C20H15FN6S.2C20H16N6S/c21-15-9-13(10-16(22)19(15)29-14-3-7-25-8-4-14)26-18-11-17(27-20(23)28-18)12-1-5-24-6-2-12;21-16-11-14(1-2-18(16)28-15-5-9-24-10-6-15)25-19-12-17(26-20(22)27-19)13-3-7-23-8-4-13;21-20-25-18(14-5-9-22-10-6-14)13-19(26-20)24-15-1-3-16(4-2-15)27-17-7-11-23-12-8-17;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/h1-11H,(H3,23,26,27,28);1-12H,(H3,22,25,26,27);2*1-13H,(H3,21,24,25,26)
InChIKeyLWMQDQCRIRAUMG-UHFFFAOYSA-N
MW1576.71 g/mol
LogP19.09
Rot. Bonds20

About 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-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-pyridin-4-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine

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-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-pyridin-4-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine (PubChem CID 159476954) has the molecular formula C80H61Cl2FN24S4 and a molecular weight of 1576.71 g/mol. Its IUPAC name is 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-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-pyridin-4-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-4-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-pyridin-4-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
PubChem CID159476954
Molecular FormulaC80H61Cl2FN24S4
Molecular Weight1576.71 g/mol
Exact Mass1574.38
IUPAC Name4-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-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-pyridin-4-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cc(Cl)c(Sc3ccncc3)c(Cl)c2)cc(-c2ccncc2)n1.Nc1nc(Nc2ccc(Sc3ccncc3)c(F)c2)cc(-c2ccncc2)n1.Nc1nc(Nc2ccc(Sc3ccncc3)cc2)cc(-c2cccnc2)n1.Nc1nc(Nc2ccc(Sc3ccncc3)cc2)cc(-c2ccncc2)n1
InChIInChI=1S/C20H14Cl2N6S.C20H15FN6S.2C20H16N6S/c21-15-9-13(10-16(22)19(15)29-14-3-7-25-8-4-14)26-18-11-17(27-20(23)28-18)12-1-5-24-6-2-12;21-16-11-14(1-2-18(16)28-15-5-9-24-10-6-15)25-19-12-17(26-20(22)27-19)13-3-7-23-8-4-13;21-20-25-18(14-5-9-22-10-6-14)13-19(26-20)24-15-1-3-16(4-2-15)27-17-7-11-23-12-8-17;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/h1-11H,(H3,23,26,27,28);1-12H,(H3,22,25,26,27);2*1-13H,(H3,21,24,25,26)
InChIKeyLWMQDQCRIRAUMG-UHFFFAOYSA-N
XLogP19.09
TPSA358.44 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001576.71
LogP ≤ 519.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze 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-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-pyridin-4-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-[2-[4-[(2-chlorophenyl)sulfanylamino]-2-fluorophenyl]sulfanyl-3-pyridinyl]-N-cyclohexylpyrimidin-2-amine
CID 172263348
4-[2-[4-[(2-chlorophenyl)sulfanylamino]-2-fluorophenyl]sulfanyl-3-pyridinyl]-N-piperidin-3-ylpyrimidin-2-amine
CID 172263523
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
4-N-(3-chloro-5-methyl-4-pyridin-4-ylsulfanylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 142269165
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
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
CID 157273268
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

Frequently Asked Questions

What is the IUPAC name of 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-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-pyridin-4-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-4-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-pyridin-4-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine (CID 159476954) is 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-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-pyridin-4-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-4-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-pyridin-4-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-4-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-pyridin-4-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine is Nc1nc(Nc2cc(Cl)c(Sc3ccncc3)c(Cl)c2)cc(-c2ccncc2)n1.Nc1nc(Nc2ccc(Sc3ccncc3)c(F)c2)cc(-c2ccncc2)n1.Nc1nc(Nc2ccc(Sc3ccncc3)cc2)cc(-c2cccnc2)n1.Nc1nc(Nc2ccc(Sc3ccncc3)cc2)cc(-c2ccncc2)n1.
What is the InChIKey of 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-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-pyridin-4-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The InChIKey is LWMQDQCRIRAUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N6S.C20H15FN6S.2C20H16N6S/c21-15-9-13(10-16(22)19(15)29-14-3-7-25-8-4-14)26-18-11-17(27-20(23)28-18)12-1-5-24-6-2-12;21-16-11-14(1-2-18(16)28-15-5-9-24-10-6-15)25-19-12-17(26-20(22)27-19)13-3-7-23-8-4-13;21-20-25-18(14-5-9-22-10-6-14)13-19(26-20)24-15-1-3-16(4-2-15)27-17-7-11-23-12-8-17;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/h1-11H,(H3,23,26,27,28);1-12H,(H3,22,25,26,27);2*1-13H,(H3,21,24,25,26).
What are the key properties of 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-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-pyridin-4-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
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-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-pyridin-4-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine has a molecular weight of 1576.71 g/mol, XLogP of 19.09, 20 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-pyridin-4-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 159476954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).