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

C15H10Cl2FN5S — CID 89020611

IUPAC6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(Nc2cc(F)c(Sc3ccncc3)c(Cl)c2)n1
InChIInChI=1S/C15H10Cl2FN5S/c16-10-5-8(21-13-7-12(17)22-15(19)23-13)6-11(18)14(10)24-9-1-3-20-4-2-9/h1-7H,(H3,19,21,22,23)
InChIKeyWWDPOWJXTDBVHQ-UHFFFAOYSA-N
MW382.25 g/mol
LogP4.79
Rot. Bonds4

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

6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine (PubChem CID 89020611) has the molecular formula C15H10Cl2FN5S and a molecular weight of 382.25 g/mol. Its IUPAC name is 6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
PubChem CID89020611
Molecular FormulaC15H10Cl2FN5S
Molecular Weight382.25 g/mol
Exact Mass381.00
IUPAC Name6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(Nc2cc(F)c(Sc3ccncc3)c(Cl)c2)n1
InChIInChI=1S/C15H10Cl2FN5S/c16-10-5-8(21-13-7-12(17)22-15(19)23-13)6-11(18)14(10)24-9-1-3-20-4-2-9/h1-7H,(H3,19,21,22,23)
InChIKeyWWDPOWJXTDBVHQ-UHFFFAOYSA-N
XLogP4.79
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 54.79
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-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine (CID 89020611) is 6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine is Nc1nc(Cl)cc(Nc2cc(F)c(Sc3ccncc3)c(Cl)c2)n1.
What is the InChIKey of 6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The InChIKey is WWDPOWJXTDBVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN5S/c16-10-5-8(21-13-7-12(17)22-15(19)23-13)6-11(18)14(10)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-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine has a molecular weight of 382.25 g/mol, XLogP of 4.79, 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-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 89020611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).