3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfonylpyrimidin-4-one

C15H14F2N2O4S — CID 69352427

IUPAC3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfonylpyrimidin-4-one
SMILESCS(=O)(=O)c1nc(OCc2ccc(F)cc2F)cc(=O)n1C1CC1
InChIInChI=1S/C15H14F2N2O4S/c1-24(21,22)15-18-13(7-14(20)19(15)11-4-5-11)23-8-9-2-3-10(16)6-12(9)17/h2-3,6-7,11H,4-5,8H2,1H3
InChIKeySZRBDUJWIVKABP-UHFFFAOYSA-N
MW356.35 g/mol
LogP1.84
Rot. Bonds5

About 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfonylpyrimidin-4-one

3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfonylpyrimidin-4-one (PubChem CID 69352427) has the molecular formula C15H14F2N2O4S and a molecular weight of 356.35 g/mol. Its IUPAC name is 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfonylpyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfonylpyrimidin-4-one
PubChem CID69352427
Molecular FormulaC15H14F2N2O4S
Molecular Weight356.35 g/mol
Exact Mass356.06
IUPAC Name3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfonylpyrimidin-4-one
SMILESCS(=O)(=O)c1nc(OCc2ccc(F)cc2F)cc(=O)n1C1CC1
InChIInChI=1S/C15H14F2N2O4S/c1-24(21,22)15-18-13(7-14(20)19(15)11-4-5-11)23-8-9-2-3-10(16)6-12(9)17/h2-3,6-7,11H,4-5,8H2,1H3
InChIKeySZRBDUJWIVKABP-UHFFFAOYSA-N
XLogP1.84
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfonylpyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfonylpyrimidin-4-one (CID 69352427) is 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfonylpyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfonylpyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfonylpyrimidin-4-one is CS(=O)(=O)c1nc(OCc2ccc(F)cc2F)cc(=O)n1C1CC1.
What is the InChIKey of 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfonylpyrimidin-4-one?
The InChIKey is SZRBDUJWIVKABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O4S/c1-24(21,22)15-18-13(7-14(20)19(15)11-4-5-11)23-8-9-2-3-10(16)6-12(9)17/h2-3,6-7,11H,4-5,8H2,1H3.
What are the key properties of 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfonylpyrimidin-4-one?
3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfonylpyrimidin-4-one has a molecular weight of 356.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfonylpyrimidin-4-one is sourced from PubChem (CID 69352427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).