5-fluoro-3-methyl-2-phenylmethoxypyrimidin-4-one

C12H11FN2O2 — CID 71347455

IUPAC5-fluoro-3-methyl-2-phenylmethoxypyrimidin-4-one
SMILESCn1c(OCc2ccccc2)ncc(F)c1=O
InChIInChI=1S/C12H11FN2O2/c1-15-11(16)10(13)7-14-12(15)17-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyGAFVFUFVZTWNGW-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.50
Rot. Bonds3

About 5-fluoro-3-methyl-2-phenylmethoxypyrimidin-4-one

5-fluoro-3-methyl-2-phenylmethoxypyrimidin-4-one (PubChem CID 71347455) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-fluoro-3-methyl-2-phenylmethoxypyrimidin-4-one.

Molecular Properties

Compound Name5-fluoro-3-methyl-2-phenylmethoxypyrimidin-4-one
PubChem CID71347455
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name5-fluoro-3-methyl-2-phenylmethoxypyrimidin-4-one
SMILESCn1c(OCc2ccccc2)ncc(F)c1=O
InChIInChI=1S/C12H11FN2O2/c1-15-11(16)10(13)7-14-12(15)17-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyGAFVFUFVZTWNGW-UHFFFAOYSA-N
XLogP1.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyl 3-acetyl-5-fluoro-2,6-dioxopyrimidine-1-carboxylate
CID 12690853
5-Fluoro-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 322854
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
2-Fluoro-6,11-dihydropyrimido[2,1-c][2,4]benzoxazepin-1-one
CID 45028317
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
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
6-[(2,4-Difluorophenyl)methoxy]-2-methyl-3-prop-2-ynylpyrimidin-4-one
CID 21090033
3-(Difluoromethyl)-6-phenylmethoxypyrimidin-4-one
CID 21090118

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-2-phenylmethoxypyrimidin-4-one?
The IUPAC name of 5-fluoro-3-methyl-2-phenylmethoxypyrimidin-4-one (CID 71347455) is 5-fluoro-3-methyl-2-phenylmethoxypyrimidin-4-one.
What is the SMILES notation for 5-fluoro-3-methyl-2-phenylmethoxypyrimidin-4-one?
The canonical SMILES for 5-fluoro-3-methyl-2-phenylmethoxypyrimidin-4-one is Cn1c(OCc2ccccc2)ncc(F)c1=O.
What is the InChIKey of 5-fluoro-3-methyl-2-phenylmethoxypyrimidin-4-one?
The InChIKey is GAFVFUFVZTWNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-15-11(16)10(13)7-14-12(15)17-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3.
What are the key properties of 5-fluoro-3-methyl-2-phenylmethoxypyrimidin-4-one?
5-fluoro-3-methyl-2-phenylmethoxypyrimidin-4-one has a molecular weight of 234.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-2-phenylmethoxypyrimidin-4-one is sourced from PubChem (CID 71347455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).