3-decyl-2-methylpyrimidin-4-one

C15H26N2O — CID 175779976

IUPAC3-decyl-2-methylpyrimidin-4-one
SMILESCCCCCCCCCCn1c(C)nccc1=O
InChIInChI=1S/C15H26N2O/c1-3-4-5-6-7-8-9-10-13-17-14(2)16-12-11-15(17)18/h11-12H,3-10,13H2,1-2H3
InChIKeyKUYHWAJDPSJULH-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.69
Rot. Bonds9

About 3-decyl-2-methylpyrimidin-4-one

3-decyl-2-methylpyrimidin-4-one (PubChem CID 175779976) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-decyl-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-decyl-2-methylpyrimidin-4-one
PubChem CID175779976
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-decyl-2-methylpyrimidin-4-one
SMILESCCCCCCCCCCn1c(C)nccc1=O
InChIInChI=1S/C15H26N2O/c1-3-4-5-6-7-8-9-10-13-17-14(2)16-12-11-15(17)18/h11-12H,3-10,13H2,1-2H3
InChIKeyKUYHWAJDPSJULH-UHFFFAOYSA-N
XLogP3.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.69
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 3-decyl-2-methylpyrimidin-4-one?
The IUPAC name of 3-decyl-2-methylpyrimidin-4-one (CID 175779976) is 3-decyl-2-methylpyrimidin-4-one.
What is the SMILES notation for 3-decyl-2-methylpyrimidin-4-one?
The canonical SMILES for 3-decyl-2-methylpyrimidin-4-one is CCCCCCCCCCn1c(C)nccc1=O.
What is the InChIKey of 3-decyl-2-methylpyrimidin-4-one?
The InChIKey is KUYHWAJDPSJULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-4-5-6-7-8-9-10-13-17-14(2)16-12-11-15(17)18/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 3-decyl-2-methylpyrimidin-4-one?
3-decyl-2-methylpyrimidin-4-one has a molecular weight of 250.39 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-2-methylpyrimidin-4-one is sourced from PubChem (CID 175779976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).