4-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]sulfanylphenol;6-chloro-4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine

C92H67Cl5F5N25O2S4 — CID 160956970

About 4-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]sulfanylphenol;6-chloro-4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine

4-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]sulfanylphenol;6-chloro-4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine (PubChem CID 160956970) has the molecular formula C92H67Cl5F5N25O2S4 and a molecular weight of 1955.24 g/mol. Its IUPAC name is 4-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]sulfanylphenol;6-chloro-4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]sulfanylphenol;6-chloro-4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine
• PubChem CID: 160956970
• Molecular Formula: C92H67Cl5F5N25O2S4
• Molecular Weight: 1955.24 g/mol
• Exact Mass: 1951.32
• IUPAC Name: 4-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]sulfanylphenol;6-chloro-4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine
• SMILES: Cc1cc(Nc2ccc(Sc3ccc(O)cc3)cc2)nc(N)n1.Fc1cc(Nc2nccc(C(F)(F)F)n2)ccc1Oc1cccc2cnccc12.Nc1nc(Cl)cc(Nc2cc(Cl)c(Sc3ccncc3)c(Cl)c2)n1.Nc1nc(Nc2cc(Cl)c(Sc3ccncc3)c(Cl)c2)cc(-c2ccncc2)n1.Nc1nc(Nc2ccc(Sc3ccncc3)c(F)c2)cc(-c2ccncc2)n1
• InChI: InChI=1S/C20H14Cl2N6S.C20H12F4N4O.C20H15FN6S.C17H16N4OS.C15H10Cl3N5S/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;21-15-10-13(27-19-26-9-7-18(28-19)20(22,23)24)4-5-17(15)29-16-3-1-2-12-11-25-8-6-14(12)16;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;1-11-10-16(21-17(18)19-11)20-12-2-6-14(7-3-12)23-15-8-4-13(22)5-9-15;16-10-5-8(21-13-7-12(18)22-15(19)23-13)6-11(17)14(10)24-9-1-3-20-4-2-9/h1-11H,(H3,23,26,27,28);1-11H,(H,26,27,28);1-12H,(H3,22,25,26,27);2-10,22H,1H3,(H3,18,19,20,21);1-7H,(H3,19,21,22,23)
• InChIKey: SWMZLATWOGWTOG-UHFFFAOYSA-N
• XLogP: 25.26
• TPSA: 399.93 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1955.24
LogP ≤ 5	25.26
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]sulfanylphenol;6-chloro-4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine?

The IUPAC name of 4-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]sulfanylphenol;6-chloro-4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine (CID 160956970) is 4-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]sulfanylphenol;6-chloro-4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine.

What is the SMILES notation for 4-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]sulfanylphenol;6-chloro-4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine?

The canonical SMILES for 4-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]sulfanylphenol;6-chloro-4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine is Cc1cc(Nc2ccc(Sc3ccc(O)cc3)cc2)nc(N)n1.Fc1cc(Nc2nccc(C(F)(F)F)n2)ccc1Oc1cccc2cnccc12.Nc1nc(Cl)cc(Nc2cc(Cl)c(Sc3ccncc3)c(Cl)c2)n1.Nc1nc(Nc2cc(Cl)c(Sc3ccncc3)c(Cl)c2)cc(-c2ccncc2)n1.Nc1nc(Nc2ccc(Sc3ccncc3)c(F)c2)cc(-c2ccncc2)n1.

What is the InChIKey of 4-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]sulfanylphenol;6-chloro-4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine?

The InChIKey is SWMZLATWOGWTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N6S.C20H12F4N4O.C20H15FN6S.C17H16N4OS.C15H10Cl3N5S/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;21-15-10-13(27-19-26-9-7-18(28-19)20(22,23)24)4-5-17(15)29-16-3-1-2-12-11-25-8-6-14(12)16;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;1-11-10-16(21-17(18)19-11)20-12-2-6-14(7-3-12)23-15-8-4-13(22)5-9-15;16-10-5-8(21-13-7-12(18)22-15(19)23-13)6-11(17)14(10)24-9-1-3-20-4-2-9/h1-11H,(H3,23,26,27,28);1-11H,(H,26,27,28);1-12H,(H3,22,25,26,27);2-10,22H,1H3,(H3,18,19,20,21);1-7H,(H3,19,21,22,23).

What are the key properties of 4-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]sulfanylphenol;6-chloro-4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine?

4-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]sulfanylphenol;6-chloro-4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine has a molecular weight of 1955.24 g/mol, XLogP of 25.26, 22 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]sulfanylphenol;6-chloro-4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 160956970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).