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

C15H14F2N2O2S — CID 69351986

IUPAC3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanylpyrimidin-4-one
SMILESCSc1nc(OCc2ccc(F)cc2F)cc(=O)n1C1CC1
InChIInChI=1S/C15H14F2N2O2S/c1-22-15-18-13(7-14(20)19(15)11-4-5-11)21-8-9-2-3-10(16)6-12(9)17/h2-3,6-7,11H,4-5,8H2,1H3
InChIKeyXQHDPLBFXDXQER-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.16
Rot. Bonds5

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

3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanylpyrimidin-4-one (PubChem CID 69351986) has the molecular formula C15H14F2N2O2S and a molecular weight of 324.35 g/mol. Its IUPAC name is 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanylpyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanylpyrimidin-4-one
PubChem CID69351986
Molecular FormulaC15H14F2N2O2S
Molecular Weight324.35 g/mol
Exact Mass324.07
IUPAC Name3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanylpyrimidin-4-one
SMILESCSc1nc(OCc2ccc(F)cc2F)cc(=O)n1C1CC1
InChIInChI=1S/C15H14F2N2O2S/c1-22-15-18-13(7-14(20)19(15)11-4-5-11)21-8-9-2-3-10(16)6-12(9)17/h2-3,6-7,11H,4-5,8H2,1H3
InChIKeyXQHDPLBFXDXQER-UHFFFAOYSA-N
XLogP3.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Bromo-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
CID 11516001
3-Cyclohexyl-6-[(2,4-difluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-one
CID 21089381
5-Bromo-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one
CID 21089621
6-[(2,4-Difluorophenyl)methoxy]-2-methyl-3-prop-2-ynylpyrimidin-4-one
CID 21090033
3-(Difluoromethyl)-6-phenylmethoxypyrimidin-4-one
CID 21090118
5-Chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one
CID 69351794
6-[(2,4-Difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
CID 69351805
6-[(2,4-Difluorophenyl)methoxy]-3-(2,2-dimethylpropyl)-2-methylsulfanylpyrimidin-4-one
CID 69351985
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfonyl-3-propan-2-ylpyrimidin-4-one
CID 69352155
3-Cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-[2-(dimethylamino)ethylamino]pyrimidin-4-one
CID 69352391
3-Cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfonylpyrimidin-4-one
CID 69352427
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one
CID 69352503

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanylpyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanylpyrimidin-4-one (CID 69351986) is 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanylpyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanylpyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanylpyrimidin-4-one is CSc1nc(OCc2ccc(F)cc2F)cc(=O)n1C1CC1.
What is the InChIKey of 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanylpyrimidin-4-one?
The InChIKey is XQHDPLBFXDXQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2S/c1-22-15-18-13(7-14(20)19(15)11-4-5-11)21-8-9-2-3-10(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-methylsulfanylpyrimidin-4-one?
3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanylpyrimidin-4-one has a molecular weight of 324.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanylpyrimidin-4-one is sourced from PubChem (CID 69351986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).