1-pentadecan-8-ylpyrimidin-2-one

C19H34N2O — CID 126556318

IUPAC1-pentadecan-8-ylpyrimidin-2-one
SMILESCCCCCCCC(CCCCCCC)n1cccnc1=O
InChIInChI=1S/C19H34N2O/c1-3-5-7-9-11-14-18(15-12-10-8-6-4-2)21-17-13-16-20-19(21)22/h13,16-18H,3-12,14-15H2,1-2H3
InChIKeyCNYMSMALJYTLCO-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.51
Rot. Bonds13

About 1-pentadecan-8-ylpyrimidin-2-one

1-pentadecan-8-ylpyrimidin-2-one (PubChem CID 126556318) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-pentadecan-8-ylpyrimidin-2-one.

Molecular Properties

Compound Name1-pentadecan-8-ylpyrimidin-2-one
PubChem CID126556318
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name1-pentadecan-8-ylpyrimidin-2-one
SMILESCCCCCCCC(CCCCCCC)n1cccnc1=O
InChIInChI=1S/C19H34N2O/c1-3-5-7-9-11-14-18(15-12-10-8-6-4-2)21-17-13-16-20-19(21)22/h13,16-18H,3-12,14-15H2,1-2H3
InChIKeyCNYMSMALJYTLCO-UHFFFAOYSA-N
XLogP5.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.51
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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Frequently Asked Questions

What is the IUPAC name of 1-pentadecan-8-ylpyrimidin-2-one?
The IUPAC name of 1-pentadecan-8-ylpyrimidin-2-one (CID 126556318) is 1-pentadecan-8-ylpyrimidin-2-one.
What is the SMILES notation for 1-pentadecan-8-ylpyrimidin-2-one?
The canonical SMILES for 1-pentadecan-8-ylpyrimidin-2-one is CCCCCCCC(CCCCCCC)n1cccnc1=O.
What is the InChIKey of 1-pentadecan-8-ylpyrimidin-2-one?
The InChIKey is CNYMSMALJYTLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-3-5-7-9-11-14-18(15-12-10-8-6-4-2)21-17-13-16-20-19(21)22/h13,16-18H,3-12,14-15H2,1-2H3.
What are the key properties of 1-pentadecan-8-ylpyrimidin-2-one?
1-pentadecan-8-ylpyrimidin-2-one has a molecular weight of 306.49 g/mol, XLogP of 5.51, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentadecan-8-ylpyrimidin-2-one is sourced from PubChem (CID 126556318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).