2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one

C13H13FN2O2 — CID 136938664

IUPAC2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1cc(-c2nc(C)c(C)c(=O)[nH]2)ccc1F
InChIInChI=1S/C13H13FN2O2/c1-7-8(2)15-12(16-13(7)17)9-4-5-10(14)11(6-9)18-3/h4-6H,1-3H3,(H,15,16,17)
InChIKeyPCGAOPLNVVFUKB-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.20
Rot. Bonds2

About 2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one

2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 136938664) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID136938664
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1cc(-c2nc(C)c(C)c(=O)[nH]2)ccc1F
InChIInChI=1S/C13H13FN2O2/c1-7-8(2)15-12(16-13(7)17)9-4-5-10(14)11(6-9)18-3/h4-6H,1-3H3,(H,15,16,17)
InChIKeyPCGAOPLNVVFUKB-UHFFFAOYSA-N
XLogP2.20
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-3-methoxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136889662
2-(4-fluoro-3-methoxyphenyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136889800
5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136889677
2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63611423
4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136938663
2-(4-fluoro-3-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136889663
8-(4-fluoro-3-methoxyphenyl)-3-methyl-7H-purine-2,6-dione
CID 115765308
2-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 107923253
2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136889657
4-cyclopentyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136889687
4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 135966488
2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136980758

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one (CID 136938664) is 2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one is COc1cc(-c2nc(C)c(C)c(=O)[nH]2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is PCGAOPLNVVFUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-7-8(2)15-12(16-13(7)17)9-4-5-10(14)11(6-9)18-3/h4-6H,1-3H3,(H,15,16,17).
What are the key properties of 2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one?
2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 248.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136938664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).