1-[(2,6-difluorophenyl)methyl]-4-methoxypyrimidin-2-one

C12H10F2N2O2 — CID 15867827

IUPAC1-[(2,6-difluorophenyl)methyl]-4-methoxypyrimidin-2-one
SMILESCOc1ccn(Cc2c(F)cccc2F)c(=O)n1
InChIInChI=1S/C12H10F2N2O2/c1-18-11-5-6-16(12(17)15-11)7-8-9(13)3-2-4-10(8)14/h2-6H,7H2,1H3
InChIKeyVDEDZBLOYDWHMZ-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.58
Rot. Bonds3

About 1-[(2,6-difluorophenyl)methyl]-4-methoxypyrimidin-2-one

1-[(2,6-difluorophenyl)methyl]-4-methoxypyrimidin-2-one (PubChem CID 15867827) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-4-methoxypyrimidin-2-one.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-4-methoxypyrimidin-2-one
PubChem CID15867827
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC Name1-[(2,6-difluorophenyl)methyl]-4-methoxypyrimidin-2-one
SMILESCOc1ccn(Cc2c(F)cccc2F)c(=O)n1
InChIInChI=1S/C12H10F2N2O2/c1-18-11-5-6-16(12(17)15-11)7-8-9(13)3-2-4-10(8)14/h2-6H,7H2,1H3
InChIKeyVDEDZBLOYDWHMZ-UHFFFAOYSA-N
XLogP1.58
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4-methoxypyrimidin-2-one?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4-methoxypyrimidin-2-one (CID 15867827) is 1-[(2,6-difluorophenyl)methyl]-4-methoxypyrimidin-2-one.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-4-methoxypyrimidin-2-one?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-4-methoxypyrimidin-2-one is COc1ccn(Cc2c(F)cccc2F)c(=O)n1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-4-methoxypyrimidin-2-one?
The InChIKey is VDEDZBLOYDWHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c1-18-11-5-6-16(12(17)15-11)7-8-9(13)3-2-4-10(8)14/h2-6H,7H2,1H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-4-methoxypyrimidin-2-one?
1-[(2,6-difluorophenyl)methyl]-4-methoxypyrimidin-2-one has a molecular weight of 252.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-4-methoxypyrimidin-2-one is sourced from PubChem (CID 15867827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).