3-(difluoromethyl)-6-phenylmethoxypyrimidin-4-one

C12H10F2N2O2 — CID 21090118

IUPAC3-(difluoromethyl)-6-phenylmethoxypyrimidin-4-one
SMILESO=c1cc(OCc2ccccc2)ncn1C(F)F
InChIInChI=1S/C12H10F2N2O2/c13-12(14)16-8-15-10(6-11(16)17)18-7-9-4-2-1-3-5-9/h1-6,8,12H,7H2
InChIKeyYFMWBOWURPYTKC-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.22
Rot. Bonds4

About 3-(difluoromethyl)-6-phenylmethoxypyrimidin-4-one

3-(difluoromethyl)-6-phenylmethoxypyrimidin-4-one (PubChem CID 21090118) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-phenylmethoxypyrimidin-4-one.

Molecular Properties

Compound Name3-(difluoromethyl)-6-phenylmethoxypyrimidin-4-one
PubChem CID21090118
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC Name3-(difluoromethyl)-6-phenylmethoxypyrimidin-4-one
SMILESO=c1cc(OCc2ccccc2)ncn1C(F)F
InChIInChI=1S/C12H10F2N2O2/c13-12(14)16-8-15-10(6-11(16)17)18-7-9-4-2-1-3-5-9/h1-6,8,12H,7H2
InChIKeyYFMWBOWURPYTKC-UHFFFAOYSA-N
XLogP2.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Difluoromethyl)-4-phenylmethoxypyridin-2-one
CID 22050879
2-(Dimethylamino)-5-fluoro-6-phenyl-1,3-oxazin-4-one
CID 14948407
2-(Dimethylamino)-6-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one
CID 15001695
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
CID 11516001
2-Benzyloxy-5-fluoropyrimidin-4-one
CID 12900144
5-bromo-6-(4'-trifluoromethylbenzyloxy)-3-methyl-4(3H)-pyrimidinone
CID 14276128
6-[(4-Fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one
CID 21089220
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-prop-2-enylpyrimidin-4-one
CID 21089325
5-Chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-prop-2-enylpyrimidin-4-one
CID 21089326
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-[(2-Fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
CID 21090101

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-phenylmethoxypyrimidin-4-one?
The IUPAC name of 3-(difluoromethyl)-6-phenylmethoxypyrimidin-4-one (CID 21090118) is 3-(difluoromethyl)-6-phenylmethoxypyrimidin-4-one.
What is the SMILES notation for 3-(difluoromethyl)-6-phenylmethoxypyrimidin-4-one?
The canonical SMILES for 3-(difluoromethyl)-6-phenylmethoxypyrimidin-4-one is O=c1cc(OCc2ccccc2)ncn1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-phenylmethoxypyrimidin-4-one?
The InChIKey is YFMWBOWURPYTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c13-12(14)16-8-15-10(6-11(16)17)18-7-9-4-2-1-3-5-9/h1-6,8,12H,7H2.
What are the key properties of 3-(difluoromethyl)-6-phenylmethoxypyrimidin-4-one?
3-(difluoromethyl)-6-phenylmethoxypyrimidin-4-one has a molecular weight of 252.22 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-phenylmethoxypyrimidin-4-one is sourced from PubChem (CID 21090118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).