4-(4-fluorophenyl)-6-propyl-1H-pyrimidin-2-one

C13H13FN2O — CID 143249998

IUPAC4-(4-fluorophenyl)-6-propyl-1H-pyrimidin-2-one
SMILESCCCc1cc(-c2ccc(F)cc2)nc(=O)[nH]1
InChIInChI=1S/C13H13FN2O/c1-2-3-11-8-12(16-13(17)15-11)9-4-6-10(14)7-5-9/h4-8H,2-3H2,1H3,(H,15,16,17)
InChIKeyGBOFPQOMAYCXSG-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.53
Rot. Bonds3

About 4-(4-fluorophenyl)-6-propyl-1H-pyrimidin-2-one

4-(4-fluorophenyl)-6-propyl-1H-pyrimidin-2-one (PubChem CID 143249998) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-propyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-propyl-1H-pyrimidin-2-one
PubChem CID143249998
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name4-(4-fluorophenyl)-6-propyl-1H-pyrimidin-2-one
SMILESCCCc1cc(-c2ccc(F)cc2)nc(=O)[nH]1
InChIInChI=1S/C13H13FN2O/c1-2-3-11-8-12(16-13(17)15-11)9-4-6-10(14)7-5-9/h4-8H,2-3H2,1H3,(H,15,16,17)
InChIKeyGBOFPQOMAYCXSG-UHFFFAOYSA-N
XLogP2.53
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one
CID 136955380
6-[2-(5-chloro-2-methylphenyl)acetyl]-4-(4-fluorophenyl)-1H-pyrimidin-2-one
CID 160786073
2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691960
2-(chloromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one
CID 137119593
2,6-dipropyl-1H-pyridin-4-one
CID 137405391
5-propyl-3-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole
CID 86239923
5-(4-fluorophenyl)-2H-1,2,4-triazin-3-one
CID 14923087
2-ethyl-6-(4-fluorophenyl)-4-methylpyridine
CID 160753995
4-fluoro-2-(5-propyl-1H-pyrazol-3-yl)phenol
CID 145330919
methyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate
CID 122423843
2-(4-fluoro-3-methylphenyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475223
2-(4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 62191788

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-propyl-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-6-propyl-1H-pyrimidin-2-one (CID 143249998) is 4-(4-fluorophenyl)-6-propyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-6-propyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-6-propyl-1H-pyrimidin-2-one is CCCc1cc(-c2ccc(F)cc2)nc(=O)[nH]1.
What is the InChIKey of 4-(4-fluorophenyl)-6-propyl-1H-pyrimidin-2-one?
The InChIKey is GBOFPQOMAYCXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-2-3-11-8-12(16-13(17)15-11)9-4-6-10(14)7-5-9/h4-8H,2-3H2,1H3,(H,15,16,17).
What are the key properties of 4-(4-fluorophenyl)-6-propyl-1H-pyrimidin-2-one?
4-(4-fluorophenyl)-6-propyl-1H-pyrimidin-2-one has a molecular weight of 232.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-propyl-1H-pyrimidin-2-one is sourced from PubChem (CID 143249998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).