3-methyl-2,6-di(propan-2-yl)pyrimidin-4-one

C11H18N2O — CID 167239944

IUPAC3-methyl-2,6-di(propan-2-yl)pyrimidin-4-one
SMILESCC(C)c1cc(=O)n(C)c(C(C)C)n1
InChIInChI=1S/C11H18N2O/c1-7(2)9-6-10(14)13(5)11(12-9)8(3)4/h6-8H,1-5H3
InChIKeyRLTRAAUAXKDZNU-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.03
Rot. Bonds2

About 3-methyl-2,6-di(propan-2-yl)pyrimidin-4-one

3-methyl-2,6-di(propan-2-yl)pyrimidin-4-one (PubChem CID 167239944) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-methyl-2,6-di(propan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2,6-di(propan-2-yl)pyrimidin-4-one
PubChem CID167239944
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-methyl-2,6-di(propan-2-yl)pyrimidin-4-one
SMILESCC(C)c1cc(=O)n(C)c(C(C)C)n1
InChIInChI=1S/C11H18N2O/c1-7(2)9-6-10(14)13(5)11(12-9)8(3)4/h6-8H,1-5H3
InChIKeyRLTRAAUAXKDZNU-UHFFFAOYSA-N
XLogP2.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2,6-di(propan-2-yl)pyrimidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,6-di(propan-2-yl)pyrimidin-4-one?
The IUPAC name of 3-methyl-2,6-di(propan-2-yl)pyrimidin-4-one (CID 167239944) is 3-methyl-2,6-di(propan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2,6-di(propan-2-yl)pyrimidin-4-one?
The canonical SMILES for 3-methyl-2,6-di(propan-2-yl)pyrimidin-4-one is CC(C)c1cc(=O)n(C)c(C(C)C)n1.
What is the InChIKey of 3-methyl-2,6-di(propan-2-yl)pyrimidin-4-one?
The InChIKey is RLTRAAUAXKDZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)9-6-10(14)13(5)11(12-9)8(3)4/h6-8H,1-5H3.
What are the key properties of 3-methyl-2,6-di(propan-2-yl)pyrimidin-4-one?
3-methyl-2,6-di(propan-2-yl)pyrimidin-4-one has a molecular weight of 194.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,6-di(propan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 167239944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).