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

C11H7ClF2N2O2 — CID 141127744

IUPAC5-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCc2ccc(F)cc2F)c1Cl
InChIInChI=1S/C11H7ClF2N2O2/c12-9-10(17)15-5-16-11(9)18-4-6-1-2-7(13)3-8(6)14/h1-3,5H,4H2,(H,15,16,17)
InChIKeyIPUQGCOQQMUNBZ-UHFFFAOYSA-N
MW272.64 g/mol
LogP2.28
Rot. Bonds3

About 5-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one

5-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one (PubChem CID 141127744) has the molecular formula C11H7ClF2N2O2 and a molecular weight of 272.64 g/mol. Its IUPAC name is 5-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one
PubChem CID141127744
Molecular FormulaC11H7ClF2N2O2
Molecular Weight272.64 g/mol
Exact Mass272.02
IUPAC Name5-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCc2ccc(F)cc2F)c1Cl
InChIInChI=1S/C11H7ClF2N2O2/c12-9-10(17)15-5-16-11(9)18-4-6-1-2-7(13)3-8(6)14/h1-3,5H,4H2,(H,15,16,17)
InChIKeyIPUQGCOQQMUNBZ-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

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Related Compounds

2-[5-Chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]oxyethylurea
CID 11596857
N-[2-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]oxyethyl]acetamide
CID 11625832
2-[[5-Chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethylurea
CID 11690187
5-Chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-prop-2-enylpyrimidin-4-one
CID 21089326
3-(Difluoromethyl)-6-phenylmethoxypyrimidin-4-one
CID 21090118
6-[(2,4-Difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
CID 69351805
5-Chloro-6-[(2,4-difluorophenyl)methoxy]-4-oxo-1-propan-2-ylpyrimidine-2-carbonitrile
CID 69351811
5-Chloro-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
CID 69353559
N-[2-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethyl]acetamide
CID 69353897
5-Chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-propan-2-ylpyrimidin-4-one
CID 69366149
5-Chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidine-2-carbonitrile
CID 69367600
2-(3-Aminopropoxy)-5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
CID 87796020

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one (CID 141127744) is 5-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one is O=c1[nH]cnc(OCc2ccc(F)cc2F)c1Cl.
What is the InChIKey of 5-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one?
The InChIKey is IPUQGCOQQMUNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O2/c12-9-10(17)15-5-16-11(9)18-4-6-1-2-7(13)3-8(6)14/h1-3,5H,4H2,(H,15,16,17).
What are the key properties of 5-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one?
5-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 5-chloro-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 141127744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).