2-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one

C11H7ClF2N2O2 — CID 141127721

IUPAC2-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one
SMILESO=c1cc(OCc2ccc(F)cc2F)nc(Cl)[nH]1
InChIInChI=1S/C11H7ClF2N2O2/c12-11-15-9(17)4-10(16-11)18-5-6-1-2-7(13)3-8(6)14/h1-4H,5H2,(H,15,16,17)
InChIKeyDOLVHKSSZLKZIU-UHFFFAOYSA-N
MW272.64 g/mol
LogP2.28
Rot. Bonds3

About 2-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one

2-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one (PubChem CID 141127721) has the molecular formula C11H7ClF2N2O2 and a molecular weight of 272.64 g/mol. Its IUPAC name is 2-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one
PubChem CID141127721
Molecular FormulaC11H7ClF2N2O2
Molecular Weight272.64 g/mol
Exact Mass272.02
IUPAC Name2-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one
SMILESO=c1cc(OCc2ccc(F)cc2F)nc(Cl)[nH]1
InChIInChI=1S/C11H7ClF2N2O2/c12-11-15-9(17)4-10(16-11)18-5-6-1-2-7(13)3-8(6)14/h1-4H,5H2,(H,15,16,17)
InChIKeyDOLVHKSSZLKZIU-UHFFFAOYSA-N
XLogP2.28
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.64
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-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

2-Benzyloxy-5-fluoropyrimidin-4-one
CID 12900144
2-Amino-6-m-fluorophenyl-1,3-oxazine-4-one
CID 13370935
2-Amino-6-(2,6-difluorophenyl)-1,3-oxazin-4-one
CID 20226578
2-Amino-6-(2,4,6-trifluorophenyl)-1,3-oxazin-4-one
CID 20226588
5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1H-pyrimidin-6-one
CID 21089697
3-(Difluoromethyl)-6-phenylmethoxypyrimidin-4-one
CID 21090118
2-Amino-6-(2-fluorophenyl)-1,3-oxazin-4-one
CID 53980974
2-Amino-6-(4-fluorophenyl)-1,3-oxazin-4-one
CID 54381577
2-[(3-fluorophenyl)methoxy]-1H-pyrimidin-6-one
CID 118236098
5-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one
CID 141127744
5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one
CID 141127787
5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1H-pyrimidin-6-one
CID 141127812

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one (CID 141127721) is 2-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one is O=c1cc(OCc2ccc(F)cc2F)nc(Cl)[nH]1.
What is the InChIKey of 2-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one?
The InChIKey is DOLVHKSSZLKZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O2/c12-11-15-9(17)4-10(16-11)18-5-6-1-2-7(13)3-8(6)14/h1-4H,5H2,(H,15,16,17).
What are the key properties of 2-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one?
2-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one has a molecular weight of 272.64 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 141127721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).