4-methyl-1-(2-methylbutyl)pyrimidin-2-one

C10H16N2O — CID 130485301

IUPAC4-methyl-1-(2-methylbutyl)pyrimidin-2-one
SMILESCCC(C)Cn1ccc(C)nc1=O
InChIInChI=1S/C10H16N2O/c1-4-8(2)7-12-6-5-9(3)11-10(12)13/h5-6,8H,4,7H2,1-3H3
InChIKeyALJUCEIZDZBRHJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.60
Rot. Bonds3

About 4-methyl-1-(2-methylbutyl)pyrimidin-2-one

4-methyl-1-(2-methylbutyl)pyrimidin-2-one (PubChem CID 130485301) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-methyl-1-(2-methylbutyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(2-methylbutyl)pyrimidin-2-one
PubChem CID130485301
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-methyl-1-(2-methylbutyl)pyrimidin-2-one
SMILESCCC(C)Cn1ccc(C)nc1=O
InChIInChI=1S/C10H16N2O/c1-4-8(2)7-12-6-5-9(3)11-10(12)13/h5-6,8H,4,7H2,1-3H3
InChIKeyALJUCEIZDZBRHJ-UHFFFAOYSA-N
XLogP1.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylbutyl)pyrimidin-2-one?
The IUPAC name of 4-methyl-1-(2-methylbutyl)pyrimidin-2-one (CID 130485301) is 4-methyl-1-(2-methylbutyl)pyrimidin-2-one.
What is the SMILES notation for 4-methyl-1-(2-methylbutyl)pyrimidin-2-one?
The canonical SMILES for 4-methyl-1-(2-methylbutyl)pyrimidin-2-one is CCC(C)Cn1ccc(C)nc1=O.
What is the InChIKey of 4-methyl-1-(2-methylbutyl)pyrimidin-2-one?
The InChIKey is ALJUCEIZDZBRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-8(2)7-12-6-5-9(3)11-10(12)13/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methylbutyl)pyrimidin-2-one?
4-methyl-1-(2-methylbutyl)pyrimidin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylbutyl)pyrimidin-2-one is sourced from PubChem (CID 130485301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).