8-(difluoromethyl)-6-(2,6-difluorophenyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one

C15H9F4N3OS — CID 170437583

IUPAC8-(difluoromethyl)-6-(2,6-difluorophenyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one
SMILESCSc1ncc2c(=O)n(-c3c(F)cccc3F)cc(C(F)F)c2n1
InChIInChI=1S/C15H9F4N3OS/c1-24-15-20-5-7-11(21-15)8(13(18)19)6-22(14(7)23)12-9(16)3-2-4-10(12)17/h2-6,13H,1H3
InChIKeyYVQSONXQSKEGOU-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.72
Rot. Bonds3

About 8-(difluoromethyl)-6-(2,6-difluorophenyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one

8-(difluoromethyl)-6-(2,6-difluorophenyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 170437583) has the molecular formula C15H9F4N3OS and a molecular weight of 355.32 g/mol. Its IUPAC name is 8-(difluoromethyl)-6-(2,6-difluorophenyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name8-(difluoromethyl)-6-(2,6-difluorophenyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one
PubChem CID170437583
Molecular FormulaC15H9F4N3OS
Molecular Weight355.32 g/mol
Exact Mass355.04
IUPAC Name8-(difluoromethyl)-6-(2,6-difluorophenyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one
SMILESCSc1ncc2c(=O)n(-c3c(F)cccc3F)cc(C(F)F)c2n1
InChIInChI=1S/C15H9F4N3OS/c1-24-15-20-5-7-11(21-15)8(13(18)19)6-22(14(7)23)12-9(16)3-2-4-10(12)17/h2-6,13H,1H3
InChIKeyYVQSONXQSKEGOU-UHFFFAOYSA-N
XLogP3.72
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethyl)-6-(2,6-difluorophenyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 8-(difluoromethyl)-6-(2,6-difluorophenyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one (CID 170437583) is 8-(difluoromethyl)-6-(2,6-difluorophenyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 8-(difluoromethyl)-6-(2,6-difluorophenyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 8-(difluoromethyl)-6-(2,6-difluorophenyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one is CSc1ncc2c(=O)n(-c3c(F)cccc3F)cc(C(F)F)c2n1.
What is the InChIKey of 8-(difluoromethyl)-6-(2,6-difluorophenyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is YVQSONXQSKEGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3OS/c1-24-15-20-5-7-11(21-15)8(13(18)19)6-22(14(7)23)12-9(16)3-2-4-10(12)17/h2-6,13H,1H3.
What are the key properties of 8-(difluoromethyl)-6-(2,6-difluorophenyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one?
8-(difluoromethyl)-6-(2,6-difluorophenyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 355.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethyl)-6-(2,6-difluorophenyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 170437583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).