1-(2-fluoroethyl)-4-methylpyrimidin-2-one

C7H9FN2O — CID 130485278

IUPAC1-(2-fluoroethyl)-4-methylpyrimidin-2-one
SMILESCc1ccn(CCF)c(=O)n1
InChIInChI=1S/C7H9FN2O/c1-6-2-4-10(5-3-8)7(11)9-6/h2,4H,3,5H2,1H3
InChIKeyKCWYRJZBMWHDLO-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.52
Rot. Bonds2

About 1-(2-fluoroethyl)-4-methylpyrimidin-2-one

1-(2-fluoroethyl)-4-methylpyrimidin-2-one (PubChem CID 130485278) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methylpyrimidin-2-one
PubChem CID130485278
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name1-(2-fluoroethyl)-4-methylpyrimidin-2-one
SMILESCc1ccn(CCF)c(=O)n1
InChIInChI=1S/C7H9FN2O/c1-6-2-4-10(5-3-8)7(11)9-6/h2,4H,3,5H2,1H3
InChIKeyKCWYRJZBMWHDLO-UHFFFAOYSA-N
XLogP0.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dimethylpyrimidin-2(1H)-one
CID 20494286
1-Methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine-2-one
CID 15074802
5-Fluoro-1,4-dimethylpyrimidin-2-one
CID 58719910
1-(2-Methylpropyl)-4-(trifluoromethyl)pyrimidin-2-one
CID 67473381
5-Fluoro-4-methyl-1-propan-2-ylpyrimidin-2-one
CID 89965638
1-(3,3-Difluorobutan-2-yl)-4-ethylpyrimidin-2-one
CID 123495237
4-Fluoro-1-methylpyrimidin-2-one
CID 137381030
1-Prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
CID 25172760
4-Methyl-1-propan-2-ylpyrimidin-2-one
CID 20735989
1-Tert-butyl-4-methylpyrimidin-2-one
CID 57816392
4-Ethyl-1-methylpyrimidin-2-one
CID 58719935
3-ethyl-4-methyl-1H-pyrimidin-3-ium-2-one
CID 68421517

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methylpyrimidin-2-one?
The IUPAC name of 1-(2-fluoroethyl)-4-methylpyrimidin-2-one (CID 130485278) is 1-(2-fluoroethyl)-4-methylpyrimidin-2-one.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methylpyrimidin-2-one?
The canonical SMILES for 1-(2-fluoroethyl)-4-methylpyrimidin-2-one is Cc1ccn(CCF)c(=O)n1.
What is the InChIKey of 1-(2-fluoroethyl)-4-methylpyrimidin-2-one?
The InChIKey is KCWYRJZBMWHDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-6-2-4-10(5-3-8)7(11)9-6/h2,4H,3,5H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-methylpyrimidin-2-one?
1-(2-fluoroethyl)-4-methylpyrimidin-2-one has a molecular weight of 156.16 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methylpyrimidin-2-one is sourced from PubChem (CID 130485278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).