6-methyl-4-(2-methylpropyl)-1H-pyrimidin-2-one

C9H14N2O — CID 106517838

IUPAC6-methyl-4-(2-methylpropyl)-1H-pyrimidin-2-one
SMILESCc1cc(CC(C)C)nc(=O)[nH]1
InChIInChI=1S/C9H14N2O/c1-6(2)4-8-5-7(3)10-9(12)11-8/h5-6H,4H2,1-3H3,(H,10,11,12)
InChIKeyUTOGQZBFQOHIQN-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.28
Rot. Bonds2

About 6-methyl-4-(2-methylpropyl)-1H-pyrimidin-2-one

6-methyl-4-(2-methylpropyl)-1H-pyrimidin-2-one (PubChem CID 106517838) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-methyl-4-(2-methylpropyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-4-(2-methylpropyl)-1H-pyrimidin-2-one
PubChem CID106517838
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name6-methyl-4-(2-methylpropyl)-1H-pyrimidin-2-one
SMILESCc1cc(CC(C)C)nc(=O)[nH]1
InChIInChI=1S/C9H14N2O/c1-6(2)4-8-5-7(3)10-9(12)11-8/h5-6H,4H2,1-3H3,(H,10,11,12)
InChIKeyUTOGQZBFQOHIQN-UHFFFAOYSA-N
XLogP1.28
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-4-(2-methylpropyl)-1H-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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-methylpropyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-methyl-4-(2-methylpropyl)-1H-pyrimidin-2-one (CID 106517838) is 6-methyl-4-(2-methylpropyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-methyl-4-(2-methylpropyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-methyl-4-(2-methylpropyl)-1H-pyrimidin-2-one is Cc1cc(CC(C)C)nc(=O)[nH]1.
What is the InChIKey of 6-methyl-4-(2-methylpropyl)-1H-pyrimidin-2-one?
The InChIKey is UTOGQZBFQOHIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)4-8-5-7(3)10-9(12)11-8/h5-6H,4H2,1-3H3,(H,10,11,12).
What are the key properties of 6-methyl-4-(2-methylpropyl)-1H-pyrimidin-2-one?
6-methyl-4-(2-methylpropyl)-1H-pyrimidin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-methylpropyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 106517838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).