4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one

C12H11FN2O2 — CID 136955594

IUPAC4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(F)cc1-c1nc[nH]c(=O)c1C
InChIInChI=1S/C12H11FN2O2/c1-7-11(14-6-15-12(7)16)9-5-8(13)3-4-10(9)17-2/h3-6H,1-2H3,(H,14,15,16)
InChIKeyGNWFSYDVYIBLAD-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.89
Rot. Bonds2

About 4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one

4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136955594) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136955594
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(F)cc1-c1nc[nH]c(=O)c1C
InChIInChI=1S/C12H11FN2O2/c1-7-11(14-6-15-12(7)16)9-5-8(13)3-4-10(9)17-2/h3-6H,1-2H3,(H,14,15,16)
InChIKeyGNWFSYDVYIBLAD-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

Analyze 4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136691870
4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136770511
4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692598
4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one
CID 136769276
4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine
CID 82390103
4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one
CID 136692328
2-(5-fluoro-2-methoxyphenyl)-1H-imidazole
CID 55254368
5-(5-fluoro-2-methoxyphenyl)-1H-pyrimidine-6-thione
CID 106518328
4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692138
5-(chloromethyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 83583893
5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 114676539
4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136691872

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one (CID 136955594) is 4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one is COc1ccc(F)cc1-c1nc[nH]c(=O)c1C.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is GNWFSYDVYIBLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-7-11(14-6-15-12(7)16)9-5-8(13)3-4-10(9)17-2/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one?
4-(5-fluoro-2-methoxyphenyl)-5-methyl-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-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).