3-ethyl-6-fluoropyrimidin-4-one

C6H7FN2O — CID 76852624

IUPAC3-ethyl-6-fluoropyrimidin-4-one
SMILESCCn1cnc(F)cc1=O
InChIInChI=1S/C6H7FN2O/c1-2-9-4-8-5(7)3-6(9)10/h3-4H,2H2,1H3
InChIKeyYNBNMHQWQBWVGE-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.40
Rot. Bonds1

About 3-ethyl-6-fluoropyrimidin-4-one

3-ethyl-6-fluoropyrimidin-4-one (PubChem CID 76852624) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 3-ethyl-6-fluoropyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-6-fluoropyrimidin-4-one
PubChem CID76852624
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name3-ethyl-6-fluoropyrimidin-4-one
SMILESCCn1cnc(F)cc1=O
InChIInChI=1S/C6H7FN2O/c1-2-9-4-8-5(7)3-6(9)10/h3-4H,2H2,1H3
InChIKeyYNBNMHQWQBWVGE-UHFFFAOYSA-N
XLogP0.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-6-fluoropyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Amino-3-methyl-3,4-dihydropyrimidin-4-one
CID 580359
3-methylpyrimidin-4(3H)-one
CID 301417
5-Fluoro-3-methylpyrimidin-4(3H)-one
CID 21602096
6-Fluoro-3-methyl-4-pyrimidinone
CID 129719242
6-(Dimethylamino)-3-methyl-3,4-dihydropyrimidin-4-one
CID 134160447
3-(2,2-Difluoroethyl)-6-methylpyrimidin-4-one
CID 127012678
Ethane;3-ethyl-6-(trifluoromethyl)pyrimidin-4-one
CID 141927765
3-Ethyl-6-(trifluoromethyl)pyrimidin-4-one
CID 141927766
5-Fluoro-3-propan-2-ylpyrimidin-4-one
CID 172299004
3-(1,1-Difluoroethyl)pyrimidin-4-one
CID 174957255
3-Ethylpyrimidin-4-one
CID 303829
2-(5-Fluoro-6-oxopyrimidin-1(6H)-yl)acetonitrile
CID 45090563

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-fluoropyrimidin-4-one?
The IUPAC name of 3-ethyl-6-fluoropyrimidin-4-one (CID 76852624) is 3-ethyl-6-fluoropyrimidin-4-one.
What is the SMILES notation for 3-ethyl-6-fluoropyrimidin-4-one?
The canonical SMILES for 3-ethyl-6-fluoropyrimidin-4-one is CCn1cnc(F)cc1=O.
What is the InChIKey of 3-ethyl-6-fluoropyrimidin-4-one?
The InChIKey is YNBNMHQWQBWVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c1-2-9-4-8-5(7)3-6(9)10/h3-4H,2H2,1H3.
What are the key properties of 3-ethyl-6-fluoropyrimidin-4-one?
3-ethyl-6-fluoropyrimidin-4-one has a molecular weight of 142.13 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-fluoropyrimidin-4-one is sourced from PubChem (CID 76852624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).