2,6-dimethyl-3-(2-methylpropyl)pyrimidin-4-one

C10H16N2O — CID 67473382

IUPAC2,6-dimethyl-3-(2-methylpropyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC(C)C)c(C)n1
InChIInChI=1S/C10H16N2O/c1-7(2)6-12-9(4)11-8(3)5-10(12)13/h5,7H,6H2,1-4H3
InChIKeyASHYQRAHCOJDPE-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.52
Rot. Bonds2

About 2,6-dimethyl-3-(2-methylpropyl)pyrimidin-4-one

2,6-dimethyl-3-(2-methylpropyl)pyrimidin-4-one (PubChem CID 67473382) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,6-dimethyl-3-(2-methylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-(2-methylpropyl)pyrimidin-4-one
PubChem CID67473382
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2,6-dimethyl-3-(2-methylpropyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC(C)C)c(C)n1
InChIInChI=1S/C10H16N2O/c1-7(2)6-12-9(4)11-8(3)5-10(12)13/h5,7H,6H2,1-4H3
InChIKeyASHYQRAHCOJDPE-UHFFFAOYSA-N
XLogP1.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(2-methylpropyl)pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-(2-methylpropyl)pyrimidin-4-one (CID 67473382) is 2,6-dimethyl-3-(2-methylpropyl)pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-(2-methylpropyl)pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-(2-methylpropyl)pyrimidin-4-one is Cc1cc(=O)n(CC(C)C)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-(2-methylpropyl)pyrimidin-4-one?
The InChIKey is ASHYQRAHCOJDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)6-12-9(4)11-8(3)5-10(12)13/h5,7H,6H2,1-4H3.
What are the key properties of 2,6-dimethyl-3-(2-methylpropyl)pyrimidin-4-one?
2,6-dimethyl-3-(2-methylpropyl)pyrimidin-4-one has a molecular weight of 180.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(2-methylpropyl)pyrimidin-4-one is sourced from PubChem (CID 67473382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).