5-fluoro-2-methyl-4-phenyl-1H-pyrimidin-6-one

C11H9FN2O — CID 136702804

IUPAC5-fluoro-2-methyl-4-phenyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccccc2)c(F)c(=O)[nH]1
InChIInChI=1S/C11H9FN2O/c1-7-13-10(9(12)11(15)14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14,15)
InChIKeyKPXGHXSDAFOIDR-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.88
Rot. Bonds1

About 5-fluoro-2-methyl-4-phenyl-1H-pyrimidin-6-one

5-fluoro-2-methyl-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136702804) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 5-fluoro-2-methyl-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-methyl-4-phenyl-1H-pyrimidin-6-one
PubChem CID136702804
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name5-fluoro-2-methyl-4-phenyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccccc2)c(F)c(=O)[nH]1
InChIInChI=1S/C11H9FN2O/c1-7-13-10(9(12)11(15)14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14,15)
InChIKeyKPXGHXSDAFOIDR-UHFFFAOYSA-N
XLogP1.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-6-phenyl-4-pyrimidinol
CID 135443077
6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-methyl-5-phenyl-
CID 2818813
6-Methyl-2-(4-(trifluoromethyl)phenyl)pyrimidin-4-ol
CID 135435537
5-methyl-2-phenyl-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
CID 737203
2-(methylthio)-6-phenylpyrimidin-4(3H)-one
CID 135408535
2-(4-Fluoro-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 804445
5,6-Diamino-2-phenylpyrimidin-4(3H)-one
CID 135401368
5-Methyl-2,6-diphenyl-4-pyrimidinol
CID 135401354
5,6-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 810712
6-Methyl-2-(3-methylphenyl)pyrimidin-4-ol
CID 135472983
4-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 135410007

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-methyl-4-phenyl-1H-pyrimidin-6-one (CID 136702804) is 5-fluoro-2-methyl-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-methyl-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-methyl-4-phenyl-1H-pyrimidin-6-one is Cc1nc(-c2ccccc2)c(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-2-methyl-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is KPXGHXSDAFOIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-7-13-10(9(12)11(15)14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14,15).
What are the key properties of 5-fluoro-2-methyl-4-phenyl-1H-pyrimidin-6-one?
5-fluoro-2-methyl-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 204.20 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136702804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).