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

C12H11FN2O2 — CID 137000727

IUPAC2-(3-fluoro-5-hydroxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cc(O)cc(F)c2)[nH]c(=O)c1C
InChIInChI=1S/C12H11FN2O2/c1-6-7(2)14-11(15-12(6)17)8-3-9(13)5-10(16)4-8/h3-5,16H,1-2H3,(H,14,15,17)
InChIKeyCBJCMLVQHXLNKW-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.90
Rot. Bonds1

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

2-(3-fluoro-5-hydroxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137000727) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-(3-fluoro-5-hydroxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-fluoro-5-hydroxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137000727
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-(3-fluoro-5-hydroxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cc(O)cc(F)c2)[nH]c(=O)c1C
InChIInChI=1S/C12H11FN2O2/c1-6-7(2)14-11(15-12(6)17)8-3-9(13)5-10(16)4-8/h3-5,16H,1-2H3,(H,14,15,17)
InChIKeyCBJCMLVQHXLNKW-UHFFFAOYSA-N
XLogP1.90
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-hydroxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-fluoro-5-hydroxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one (CID 137000727) is 2-(3-fluoro-5-hydroxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-fluoro-5-hydroxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-fluoro-5-hydroxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-c2cc(O)cc(F)c2)[nH]c(=O)c1C.
What is the InChIKey of 2-(3-fluoro-5-hydroxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is CBJCMLVQHXLNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-6-7(2)14-11(15-12(6)17)8-3-9(13)5-10(16)4-8/h3-5,16H,1-2H3,(H,14,15,17).
What are the key properties of 2-(3-fluoro-5-hydroxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one?
2-(3-fluoro-5-hydroxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 234.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-hydroxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137000727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).