6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one

C12H10ClFN2O2 — CID 114585464

IUPAC6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(Cc2ccccc2F)c1=O
InChIInChI=1S/C12H10ClFN2O2/c1-18-10-11(13)15-7-16(12(10)17)6-8-4-2-3-5-9(8)14/h2-5,7H,6H2,1H3
InChIKeyJPJGKIWROYOJJO-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.09
Rot. Bonds3

About 6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one

6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one (PubChem CID 114585464) has the molecular formula C12H10ClFN2O2 and a molecular weight of 268.68 g/mol. Its IUPAC name is 6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
PubChem CID114585464
Molecular FormulaC12H10ClFN2O2
Molecular Weight268.68 g/mol
Exact Mass268.04
IUPAC Name6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(Cc2ccccc2F)c1=O
InChIInChI=1S/C12H10ClFN2O2/c1-18-10-11(13)15-7-16(12(10)17)6-8-4-2-3-5-9(8)14/h2-5,7H,6H2,1H3
InChIKeyJPJGKIWROYOJJO-UHFFFAOYSA-N
XLogP2.09
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114583259
2-[(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)methyl]benzamide
CID 114585427
6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585475
6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114582406
6-chloro-3-[(2-chloro-4-nitrophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585239
3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one
CID 114561555
6-chloro-5-methoxy-3-[(E)-3-phenylprop-2-enyl]pyrimidin-4-one
CID 114585113
methyl 3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxylate
CID 59842874
5-bromo-6-chloro-3-[(2-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-one
CID 102878320
6-chloro-5-methoxy-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one
CID 107052078
3-butyl-6-chloro-5-methoxypyrimidin-4-one
CID 114585317
6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one
CID 114585412

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one?
The IUPAC name of 6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one (CID 114585464) is 6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one is COc1c(Cl)ncn(Cc2ccccc2F)c1=O.
What is the InChIKey of 6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one?
The InChIKey is JPJGKIWROYOJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2/c1-18-10-11(13)15-7-16(12(10)17)6-8-4-2-3-5-9(8)14/h2-5,7H,6H2,1H3.
What are the key properties of 6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one?
6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one has a molecular weight of 268.68 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one is sourced from PubChem (CID 114585464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).