6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine

C15H10ClF2N5S — CID 10215670

IUPAC6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(Nc2cc(F)c(Sc3ccncc3)c(F)c2)n1
InChIInChI=1S/C15H10ClF2N5S/c16-12-7-13(23-15(19)22-12)21-8-5-10(17)14(11(18)6-8)24-9-1-3-20-4-2-9/h1-7H,(H3,19,21,22,23)
InChIKeyGNJFSVHCBUYPTM-UHFFFAOYSA-N
MW365.80 g/mol
LogP4.28
Rot. Bonds4

About 6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine

6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine (PubChem CID 10215670) has the molecular formula C15H10ClF2N5S and a molecular weight of 365.80 g/mol. Its IUPAC name is 6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
PubChem CID10215670
Molecular FormulaC15H10ClF2N5S
Molecular Weight365.80 g/mol
Exact Mass365.03
IUPAC Name6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(Nc2cc(F)c(Sc3ccncc3)c(F)c2)n1
InChIInChI=1S/C15H10ClF2N5S/c16-12-7-13(23-15(19)22-12)21-8-5-10(17)14(11(18)6-8)24-9-1-3-20-4-2-9/h1-7H,(H3,19,21,22,23)
InChIKeyGNJFSVHCBUYPTM-UHFFFAOYSA-N
XLogP4.28
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine (CID 10215670) is 6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine is 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?
The InChIKey is GNJFSVHCBUYPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N5S/c16-12-7-13(23-15(19)22-12)21-8-5-10(17)14(11(18)6-8)24-9-1-3-20-4-2-9/h1-7H,(H3,19,21,22,23).
What are the key properties of 6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine has a molecular weight of 365.80 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 10215670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).