6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-N-methylpyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4,6-triamine

C65H53ClF5N23OS3 — CID 157437823

About 6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-N-methylpyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4,6-triamine

6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-N-methylpyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4,6-triamine (PubChem CID 157437823) has the molecular formula C65H53ClF5N23OS3 and a molecular weight of 1398.94 g/mol. Its IUPAC name is 6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-N-methylpyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4,6-triamine.

Molecular Properties

• Compound Name: 6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-N-methylpyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4,6-triamine
• PubChem CID: 157437823
• Molecular Formula: C65H53ClF5N23OS3
• Molecular Weight: 1398.94 g/mol
• Exact Mass: 1397.36
• IUPAC Name: 6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-N-methylpyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4,6-triamine
• SMILES: CNc1cc(Nc2ccc(Sc3ccncc3)c(F)c2)nc(N)n1.Nc1cc(Nc2ccc(Oc3cccc4cnccc34)c(F)c2)nc(N)n1.Nc1cc(Nc2ccc(Sc3ccncc3)c(F)c2)nc(N)n1.Nc1nc(Cl)cc(Nc2cc(F)c(Sc3ccncc3)c(F)c2)n1
• InChI: InChI=1S/C19H15FN6O.C16H15FN6S.C15H10ClF2N5S.C15H13FN6S/c20-14-8-12(24-18-9-17(21)25-19(22)26-18)4-5-16(14)27-15-3-1-2-11-10-23-7-6-13(11)15;1-19-14-9-15(23-16(18)22-14)21-10-2-3-13(12(17)8-10)24-11-4-6-20-7-5-11;16-12-7-13(23-15(19)22-12)21-8-5-10(17)14(11(18)6-8)24-9-1-3-20-4-2-9;16-11-7-9(20-14-8-13(17)21-15(18)22-14)1-2-12(11)23-10-3-5-19-6-4-10/h1-10H,(H5,21,22,24,25,26);2-9H,1H3,(H4,18,19,21,22,23);1-7H,(H3,19,21,22,23);1-8H,(H5,17,18,20,21,22)
• InChIKey: BRHVVJHWLRNPSJ-UHFFFAOYSA-N
• XLogP: 14.74
• TPSA: 380.18 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1398.94
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-N-methylpyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4,6-triamine?

The IUPAC name of 6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-N-methylpyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4,6-triamine (CID 157437823) is 6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-N-methylpyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4,6-triamine.

What is the SMILES notation for 6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-N-methylpyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4,6-triamine?

The canonical SMILES for 6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-N-methylpyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4,6-triamine is CNc1cc(Nc2ccc(Sc3ccncc3)c(F)c2)nc(N)n1.Nc1cc(Nc2ccc(Oc3cccc4cnccc34)c(F)c2)nc(N)n1.Nc1cc(Nc2ccc(Sc3ccncc3)c(F)c2)nc(N)n1.Nc1nc(Cl)cc(Nc2cc(F)c(Sc3ccncc3)c(F)c2)n1.

What is the InChIKey of 6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-N-methylpyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4,6-triamine?

The InChIKey is BRHVVJHWLRNPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O.C16H15FN6S.C15H10ClF2N5S.C15H13FN6S/c20-14-8-12(24-18-9-17(21)25-19(22)26-18)4-5-16(14)27-15-3-1-2-11-10-23-7-6-13(11)15;1-19-14-9-15(23-16(18)22-14)21-10-2-3-13(12(17)8-10)24-11-4-6-20-7-5-11;16-12-7-13(23-15(19)22-12)21-8-5-10(17)14(11(18)6-8)24-9-1-3-20-4-2-9;16-11-7-9(20-14-8-13(17)21-15(18)22-14)1-2-12(11)23-10-3-5-19-6-4-10/h1-10H,(H5,21,22,24,25,26);2-9H,1H3,(H4,18,19,21,22,23);1-7H,(H3,19,21,22,23);1-8H,(H5,17,18,20,21,22).

What are the key properties of 6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-N-methylpyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4,6-triamine?

6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-N-methylpyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4,6-triamine has a molecular weight of 1398.94 g/mol, XLogP of 14.74, 17 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-N-methylpyrimidine-2,4,6-triamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 157437823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).