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

C12H9ClF2N2O2 — CID 141127812

IUPAC5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCc2ccc(F)cc2F)c(Cl)c(=O)[nH]1
InChIInChI=1S/C12H9ClF2N2O2/c1-6-16-11(18)10(13)12(17-6)19-5-7-2-3-8(14)4-9(7)15/h2-4H,5H2,1H3,(H,16,17,18)
InChIKeyVZAOPWPFGRPVEF-UHFFFAOYSA-N
MW286.67 g/mol
LogP2.59
Rot. Bonds3

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

5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1H-pyrimidin-6-one (PubChem CID 141127812) has the molecular formula C12H9ClF2N2O2 and a molecular weight of 286.67 g/mol. Its IUPAC name is 5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1H-pyrimidin-6-one
PubChem CID141127812
Molecular FormulaC12H9ClF2N2O2
Molecular Weight286.67 g/mol
Exact Mass286.03
IUPAC Name5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCc2ccc(F)cc2F)c(Cl)c(=O)[nH]1
InChIInChI=1S/C12H9ClF2N2O2/c1-6-16-11(18)10(13)12(17-6)19-5-7-2-3-8(14)4-9(7)15/h2-4H,5H2,1H3,(H,16,17,18)
InChIKeyVZAOPWPFGRPVEF-UHFFFAOYSA-N
XLogP2.59
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.67
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1H-pyrimidin-6-one (CID 141127812) is 5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1H-pyrimidin-6-one is Cc1nc(OCc2ccc(F)cc2F)c(Cl)c(=O)[nH]1.
What is the InChIKey of 5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is VZAOPWPFGRPVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O2/c1-6-16-11(18)10(13)12(17-6)19-5-7-2-3-8(14)4-9(7)15/h2-4H,5H2,1H3,(H,16,17,18).
What are the key properties of 5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1H-pyrimidin-6-one?
5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 286.67 g/mol, XLogP of 2.59, 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]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 141127812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).