5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one

C11H18N2O — CID 140905805

IUPAC5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one
SMILESCc1cn(C(C)C)c(C(C)C)nc1=O
InChIInChI=1S/C11H18N2O/c1-7(2)10-12-11(14)9(5)6-13(10)8(3)4/h6-8H,1-5H3
InChIKeyPJIQGZYCJOEHRG-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.26
Rot. Bonds2

About 5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one

5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one (PubChem CID 140905805) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one
PubChem CID140905805
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one
SMILESCc1cn(C(C)C)c(C(C)C)nc1=O
InChIInChI=1S/C11H18N2O/c1-7(2)10-12-11(14)9(5)6-13(10)8(3)4/h6-8H,1-5H3
InChIKeyPJIQGZYCJOEHRG-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1,2-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 5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one?
The IUPAC name of 5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one (CID 140905805) is 5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one?
The canonical SMILES for 5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one is Cc1cn(C(C)C)c(C(C)C)nc1=O.
What is the InChIKey of 5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one?
The InChIKey is PJIQGZYCJOEHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)10-12-11(14)9(5)6-13(10)8(3)4/h6-8H,1-5H3.
What are the key properties of 5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one?
5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one has a molecular weight of 194.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 140905805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).