2-(3-fluorophenyl)-1H-pyrimidin-6-one

C10H7FN2O — CID 579058

IUPAC2-(3-fluorophenyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C10H7FN2O/c11-8-3-1-2-7(6-8)10-12-5-4-9(14)13-10/h1-6H,(H,12,13,14)
InChIKeyARWFGZSZTLFUEI-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.58
Rot. Bonds1

About 2-(3-fluorophenyl)-1H-pyrimidin-6-one

2-(3-fluorophenyl)-1H-pyrimidin-6-one (PubChem CID 579058) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1H-pyrimidin-6-one
PubChem CID579058
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name2-(3-fluorophenyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C10H7FN2O/c11-8-3-1-2-7(6-8)10-12-5-4-9(14)13-10/h1-6H,(H,12,13,14)
InChIKeyARWFGZSZTLFUEI-UHFFFAOYSA-N
XLogP1.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
6-Methyl-2-(4-(trifluoromethyl)phenyl)pyrimidin-4-ol
CID 135435537
2-Phenylpyrimidine-4,6-diol
CID 241011
2-Phenylpyrimidin-4-ol
CID 259156
2-(4-fluorophenyl)-5-hydroxypyrimidin-4(3H)-one
CID 73507091
5,6-Diamino-2-phenylpyrimidin-4(3H)-one
CID 135401368
6-Methyl-2-(3-methylphenyl)pyrimidin-4-ol
CID 135472983
4-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 135410007
2-Ethyl-6-phenyl-4(3H)-pyrimidinone
CID 135473407
6-(Nonafluorobutyl)-2-phenylpyrimidin-4(3H)-one
CID 135446520
2-(4-Methylphenyl)-6-(trifluoromethyl)-4-pyrimidinol
CID 135406355
2-phenyl-4,5-dihydro-1H-imidazol-5-one
CID 2749590

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-fluorophenyl)-1H-pyrimidin-6-one (CID 579058) is 2-(3-fluorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-fluorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-fluorophenyl)-1H-pyrimidin-6-one is O=c1ccnc(-c2cccc(F)c2)[nH]1.
What is the InChIKey of 2-(3-fluorophenyl)-1H-pyrimidin-6-one?
The InChIKey is ARWFGZSZTLFUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O/c11-8-3-1-2-7(6-8)10-12-5-4-9(14)13-10/h1-6H,(H,12,13,14).
What are the key properties of 2-(3-fluorophenyl)-1H-pyrimidin-6-one?
2-(3-fluorophenyl)-1H-pyrimidin-6-one has a molecular weight of 190.18 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 579058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).