6-(2,4-dimethoxyphenyl)-5-fluoro-1H-pyrimidin-2-one

C12H11FN2O3 — CID 106516713

IUPAC6-(2,4-dimethoxyphenyl)-5-fluoro-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2[nH]c(=O)ncc2F)c(OC)c1
InChIInChI=1S/C12H11FN2O3/c1-17-7-3-4-8(10(5-7)18-2)11-9(13)6-14-12(16)15-11/h3-6H,1-2H3,(H,14,15,16)
InChIKeyCZCXUIBSRDZERE-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.59
Rot. Bonds3

About 6-(2,4-dimethoxyphenyl)-5-fluoro-1H-pyrimidin-2-one

6-(2,4-dimethoxyphenyl)-5-fluoro-1H-pyrimidin-2-one (PubChem CID 106516713) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 6-(2,4-dimethoxyphenyl)-5-fluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2,4-dimethoxyphenyl)-5-fluoro-1H-pyrimidin-2-one
PubChem CID106516713
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name6-(2,4-dimethoxyphenyl)-5-fluoro-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2[nH]c(=O)ncc2F)c(OC)c1
InChIInChI=1S/C12H11FN2O3/c1-17-7-3-4-8(10(5-7)18-2)11-9(13)6-14-12(16)15-11/h3-6H,1-2H3,(H,14,15,16)
InChIKeyCZCXUIBSRDZERE-UHFFFAOYSA-N
XLogP1.59
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one
CID 106514718
3-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-4-methoxybenzonitrile
CID 106951711
6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one
CID 106516880
5-fluoro-6-(6-methoxy-3-pyridinyl)-1H-pyrimidin-2-one
CID 106516036
5-fluoro-6-(2-fluorophenyl)-1H-pyrimidin-2-one
CID 106516268
9-methoxy-6,6-dimethyl-1,5-dihydrobenzo[h]quinazolin-2-one
CID 57246441
6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one
CID 53217944
5-fluoro-6-(methoxyamino)-1H-pyrimidin-2-one
CID 13065766
4-(2,4-dimethoxyphenyl)-3-fluorophenol
CID 53219547
2-(2-fluoro-5-methoxyphenyl)-1H-imidazole-5-carbaldehyde
CID 87404424
1-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43649844
2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole
CID 82078942

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyphenyl)-5-fluoro-1H-pyrimidin-2-one?
The IUPAC name of 6-(2,4-dimethoxyphenyl)-5-fluoro-1H-pyrimidin-2-one (CID 106516713) is 6-(2,4-dimethoxyphenyl)-5-fluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2,4-dimethoxyphenyl)-5-fluoro-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2,4-dimethoxyphenyl)-5-fluoro-1H-pyrimidin-2-one is COc1ccc(-c2[nH]c(=O)ncc2F)c(OC)c1.
What is the InChIKey of 6-(2,4-dimethoxyphenyl)-5-fluoro-1H-pyrimidin-2-one?
The InChIKey is CZCXUIBSRDZERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-17-7-3-4-8(10(5-7)18-2)11-9(13)6-14-12(16)15-11/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 6-(2,4-dimethoxyphenyl)-5-fluoro-1H-pyrimidin-2-one?
6-(2,4-dimethoxyphenyl)-5-fluoro-1H-pyrimidin-2-one has a molecular weight of 250.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyphenyl)-5-fluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 106516713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).