2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one

C9H14N2O — CID 117260666

IUPAC2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCc1ncc(CC(C)C)c(=O)[nH]1
InChIInChI=1S/C9H14N2O/c1-6(2)4-8-5-10-7(3)11-9(8)12/h5-6H,4H2,1-3H3,(H,10,11,12)
InChIKeyCTQFWCPKVMQCBE-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.28
Rot. Bonds2

About 2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one

2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 117260666) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID117260666
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCc1ncc(CC(C)C)c(=O)[nH]1
InChIInChI=1S/C9H14N2O/c1-6(2)4-8-5-10-7(3)11-9(8)12/h5-6H,4H2,1-3H3,(H,10,11,12)
InChIKeyCTQFWCPKVMQCBE-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 2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

4-Pyrimidinol, 6-amino-2-methyl-5-propyl-
CID 135854961
5-ethyl-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 152078762
2-pentan-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 176560736
Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
5-ethyl-2-methyl-1H-pyrimidin-6-one
CID 5015079
2-cyclopropyl-5-propyl-1H-pyrimidin-6-one
CID 23465438
2-cyclopropyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 23465449
2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one
CID 23465452
2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 24903697
2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 24903699
5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 24903855
2,5-diethyl-1H-pyrimidin-6-one
CID 53918073

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one (CID 117260666) is 2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one is Cc1ncc(CC(C)C)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is CTQFWCPKVMQCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)4-8-5-10-7(3)11-9(8)12/h5-6H,4H2,1-3H3,(H,10,11,12).
What are the key properties of 2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one?
2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-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 2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 117260666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).