4-(5-fluoro-2-methylphenyl)-5-methoxy-1H-pyrimidin-6-one

C12H11FN2O2 — CID 136691938

IUPAC4-(5-fluoro-2-methylphenyl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(-c2cc(F)ccc2C)nc[nH]c1=O
InChIInChI=1S/C12H11FN2O2/c1-7-3-4-8(13)5-9(7)10-11(17-2)12(16)15-6-14-10/h3-6H,1-2H3,(H,14,15,16)
InChIKeyXJWCMJFTQUIHIB-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.89
Rot. Bonds2

About 4-(5-fluoro-2-methylphenyl)-5-methoxy-1H-pyrimidin-6-one

4-(5-fluoro-2-methylphenyl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136691938) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136691938
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name4-(5-fluoro-2-methylphenyl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(-c2cc(F)ccc2C)nc[nH]c1=O
InChIInChI=1S/C12H11FN2O2/c1-7-3-4-8(13)5-9(7)10-11(17-2)12(16)15-6-14-10/h3-6H,1-2H3,(H,14,15,16)
InChIKeyXJWCMJFTQUIHIB-UHFFFAOYSA-N
XLogP1.89
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)-5-methoxy-1H-pyrimidin-6-one (CID 136691938) is 4-(5-fluoro-2-methylphenyl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)-5-methoxy-1H-pyrimidin-6-one is COc1c(-c2cc(F)ccc2C)nc[nH]c1=O.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is XJWCMJFTQUIHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-7-3-4-8(13)5-9(7)10-11(17-2)12(16)15-6-14-10/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 4-(5-fluoro-2-methylphenyl)-5-methoxy-1H-pyrimidin-6-one?
4-(5-fluoro-2-methylphenyl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 234.23 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136691938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).