1-(4-methyldecan-4-yl)pyrimidin-2-one

C15H26N2O — CID 129212716

IUPAC1-(4-methyldecan-4-yl)pyrimidin-2-one
SMILESCCCCCCC(C)(CCC)n1cccnc1=O
InChIInChI=1S/C15H26N2O/c1-4-6-7-8-11-15(3,10-5-2)17-13-9-12-16-14(17)18/h9,12-13H,4-8,10-11H2,1-3H3
InChIKeyKZEYQRMAKUJQFO-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.73
Rot. Bonds8

About 1-(4-methyldecan-4-yl)pyrimidin-2-one

1-(4-methyldecan-4-yl)pyrimidin-2-one (PubChem CID 129212716) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(4-methyldecan-4-yl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(4-methyldecan-4-yl)pyrimidin-2-one
PubChem CID129212716
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(4-methyldecan-4-yl)pyrimidin-2-one
SMILESCCCCCCC(C)(CCC)n1cccnc1=O
InChIInChI=1S/C15H26N2O/c1-4-6-7-8-11-15(3,10-5-2)17-13-9-12-16-14(17)18/h9,12-13H,4-8,10-11H2,1-3H3
InChIKeyKZEYQRMAKUJQFO-UHFFFAOYSA-N
XLogP3.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-methyldecan-4-yl)pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 19989300
CID 19989300
CID 71036959
CID 71036959
CID 89215856
CID 89215856
CID 116618313
CID 116618313
CID 123152846
CID 123152846
CID 126556318
CID 126556318
CID 132031915
CID 132031915
CID 135158120
CID 135158120
CID 144122183
CID 144122183
CID 155031644
CID 155031644
CID 156030806
CID 156030806
CID 82507354
CID 82507354

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyldecan-4-yl)pyrimidin-2-one?
The IUPAC name of 1-(4-methyldecan-4-yl)pyrimidin-2-one (CID 129212716) is 1-(4-methyldecan-4-yl)pyrimidin-2-one.
What is the SMILES notation for 1-(4-methyldecan-4-yl)pyrimidin-2-one?
The canonical SMILES for 1-(4-methyldecan-4-yl)pyrimidin-2-one is CCCCCCC(C)(CCC)n1cccnc1=O.
What is the InChIKey of 1-(4-methyldecan-4-yl)pyrimidin-2-one?
The InChIKey is KZEYQRMAKUJQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-6-7-8-11-15(3,10-5-2)17-13-9-12-16-14(17)18/h9,12-13H,4-8,10-11H2,1-3H3.
What are the key properties of 1-(4-methyldecan-4-yl)pyrimidin-2-one?
1-(4-methyldecan-4-yl)pyrimidin-2-one has a molecular weight of 250.39 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyldecan-4-yl)pyrimidin-2-one is sourced from PubChem (CID 129212716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).