1-tetradecan-7-ylpyrimidin-2-one

C18H32N2O — CID 135158120

IUPAC1-tetradecan-7-ylpyrimidin-2-one
SMILESCCCCCCCC(CCCCCC)n1cccnc1=O
InChIInChI=1S/C18H32N2O/c1-3-5-7-9-11-14-17(13-10-8-6-4-2)20-16-12-15-19-18(20)21/h12,15-17H,3-11,13-14H2,1-2H3
InChIKeyRBWQBLNHUWQJSC-UHFFFAOYSA-N
MW292.47 g/mol
LogP5.12
Rot. Bonds12

About 1-tetradecan-7-ylpyrimidin-2-one

1-tetradecan-7-ylpyrimidin-2-one (PubChem CID 135158120) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-tetradecan-7-ylpyrimidin-2-one.

Molecular Properties

Compound Name1-tetradecan-7-ylpyrimidin-2-one
PubChem CID135158120
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-tetradecan-7-ylpyrimidin-2-one
SMILESCCCCCCCC(CCCCCC)n1cccnc1=O
InChIInChI=1S/C18H32N2O/c1-3-5-7-9-11-14-17(13-10-8-6-4-2)20-16-12-15-19-18(20)21/h12,15-17H,3-11,13-14H2,1-2H3
InChIKeyRBWQBLNHUWQJSC-UHFFFAOYSA-N
XLogP5.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 55.12
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-tetradecan-7-ylpyrimidin-2-one?
The IUPAC name of 1-tetradecan-7-ylpyrimidin-2-one (CID 135158120) is 1-tetradecan-7-ylpyrimidin-2-one.
What is the SMILES notation for 1-tetradecan-7-ylpyrimidin-2-one?
The canonical SMILES for 1-tetradecan-7-ylpyrimidin-2-one is CCCCCCCC(CCCCCC)n1cccnc1=O.
What is the InChIKey of 1-tetradecan-7-ylpyrimidin-2-one?
The InChIKey is RBWQBLNHUWQJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-3-5-7-9-11-14-17(13-10-8-6-4-2)20-16-12-15-19-18(20)21/h12,15-17H,3-11,13-14H2,1-2H3.
What are the key properties of 1-tetradecan-7-ylpyrimidin-2-one?
1-tetradecan-7-ylpyrimidin-2-one has a molecular weight of 292.47 g/mol, XLogP of 5.12, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetradecan-7-ylpyrimidin-2-one is sourced from PubChem (CID 135158120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).