1-hexyl-4-phenylpyrimidin-2-one

C16H20N2O — CID 171976054

IUPAC1-hexyl-4-phenylpyrimidin-2-one
SMILESCCCCCCn1ccc(-c2ccccc2)nc1=O
InChIInChI=1S/C16H20N2O/c1-2-3-4-8-12-18-13-11-15(17-16(18)19)14-9-6-5-7-10-14/h5-7,9-11,13H,2-4,8,12H2,1H3
InChIKeyOSNJPDOJRCMWGF-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.49
Rot. Bonds6

About 1-hexyl-4-phenylpyrimidin-2-one

1-hexyl-4-phenylpyrimidin-2-one (PubChem CID 171976054) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-hexyl-4-phenylpyrimidin-2-one.

Molecular Properties

Compound Name1-hexyl-4-phenylpyrimidin-2-one
PubChem CID171976054
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-hexyl-4-phenylpyrimidin-2-one
SMILESCCCCCCn1ccc(-c2ccccc2)nc1=O
InChIInChI=1S/C16H20N2O/c1-2-3-4-8-12-18-13-11-15(17-16(18)19)14-9-6-5-7-10-14/h5-7,9-11,13H,2-4,8,12H2,1H3
InChIKeyOSNJPDOJRCMWGF-UHFFFAOYSA-N
XLogP3.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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1-heptyl-3-nonyl-2-phenylimidazol-1-ium
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N-(1-hexyl-2-oxopyrimidin-4-yl)imidazole-1-carboxamide
CID 71039020
5-hexyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one
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2-dodecyl-4-phenylisoindole-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-phenylpyrimidin-2-one?
The IUPAC name of 1-hexyl-4-phenylpyrimidin-2-one (CID 171976054) is 1-hexyl-4-phenylpyrimidin-2-one.
What is the SMILES notation for 1-hexyl-4-phenylpyrimidin-2-one?
The canonical SMILES for 1-hexyl-4-phenylpyrimidin-2-one is CCCCCCn1ccc(-c2ccccc2)nc1=O.
What is the InChIKey of 1-hexyl-4-phenylpyrimidin-2-one?
The InChIKey is OSNJPDOJRCMWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-3-4-8-12-18-13-11-15(17-16(18)19)14-9-6-5-7-10-14/h5-7,9-11,13H,2-4,8,12H2,1H3.
What are the key properties of 1-hexyl-4-phenylpyrimidin-2-one?
1-hexyl-4-phenylpyrimidin-2-one has a molecular weight of 256.35 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-phenylpyrimidin-2-one is sourced from PubChem (CID 171976054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).