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

C93H72Cl5FN26OS5 — CID 157315978

IUPAC4-[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
SMILESCc1cc(Nc2ccc(Sc3ccc(O)cc3)cc2)nc(N)n1.Nc1nc(Cl)cc(Cc2cc(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.Nc1nc(Nc2ccc(Sc3ccncc3)cc2)cc(-c2ccncc2)n1
InChIInChI=1S/C20H14Cl2N6S.C20H15FN6S.C20H16N6S.C17H16N4OS.C16H11Cl3N4S/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;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;17-12-6-9(5-10-8-14(19)23-16(20)22-10)7-13(18)15(12)24-11-1-3-21-4-2-11/h1-11H,(H3,23,26,27,28);1-12H,(H3,22,25,26,27);1-13H,(H3,21,24,25,26);2-10,22H,1H3,(H3,18,19,20,21);1-4,6-8H,5H2,(H2,20,22,23)
InChIKeyBDPDLPGBPRFYQH-UHFFFAOYSA-N
MW1926.38 g/mol
LogP23.80
Rot. Bonds23

About 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

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 (PubChem CID 157315978) has the molecular formula C93H72Cl5FN26OS5 and a molecular weight of 1926.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID157315978
Molecular FormulaC93H72Cl5FN26OS5
Molecular Weight1926.38 g/mol
Exact Mass1922.34
IUPAC Name4-[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
SMILESCc1cc(Nc2ccc(Sc3ccc(O)cc3)cc2)nc(N)n1.Nc1nc(Cl)cc(Cc2cc(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.Nc1nc(Nc2ccc(Sc3ccncc3)cc2)cc(-c2ccncc2)n1
InChIInChI=1S/C20H14Cl2N6S.C20H15FN6S.C20H16N6S.C17H16N4OS.C16H11Cl3N4S/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;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;17-12-6-9(5-10-8-14(19)23-16(20)22-10)7-13(18)15(12)24-11-1-3-21-4-2-11/h1-11H,(H3,23,26,27,28);1-12H,(H3,22,25,26,27);1-13H,(H3,21,24,25,26);2-10,22H,1H3,(H3,18,19,20,21);1-4,6-8H,5H2,(H2,20,22,23)
InChIKeyBDPDLPGBPRFYQH-UHFFFAOYSA-N
XLogP23.80
TPSA417.58 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds23
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001926.38
LogP ≤ 523.80
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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;6-chloro-4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 157303236
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;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline
CID 157947296
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-chloro-6-[(3-fluoro-4-isoquinolin-5-yloxyphenyl)methyl]pyrimidin-2-amine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline
CID 158382836
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
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
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;6-pyridin-4-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
CID 161569879
4-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]sulfanylphenol;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 161927685

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Nc2ccc(Sc3ccc(O)cc3)cc2)nc(N)n1.Nc1nc(Cl)cc(Cc2cc(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.Nc1nc(Nc2ccc(Sc3ccncc3)cc2)cc(-c2ccncc2)n1.
What is the InChIKey of 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?
The InChIKey is BDPDLPGBPRFYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N6S.C20H15FN6S.C20H16N6S.C17H16N4OS.C16H11Cl3N4S/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;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;17-12-6-9(5-10-8-14(19)23-16(20)22-10)7-13(18)15(12)24-11-1-3-21-4-2-11/h1-11H,(H3,23,26,27,28);1-12H,(H3,22,25,26,27);1-13H,(H3,21,24,25,26);2-10,22H,1H3,(H3,18,19,20,21);1-4,6-8H,5H2,(H2,20,22,23).
What are the key properties of 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?
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 has a molecular weight of 1926.38 g/mol, XLogP of 23.80, 23 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157315978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).