2,4-dimethyl-1H-pyrimidin-6-one

C6H8N2O — CID 135408640

IUPAC2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C6H8N2O/c1-4-3-6(9)8-5(2)7-4/h3H,1-2H3,(H,7,8,9)
InChIKeyUQFHLJKWYIJISA-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.39
Rot. Bonds

About 2,4-dimethyl-1H-pyrimidin-6-one

2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 135408640) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID135408640
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C6H8N2O/c1-4-3-6(9)8-5(2)7-4/h3H,1-2H3,(H,7,8,9)
InChIKeyUQFHLJKWYIJISA-UHFFFAOYSA-N
XLogP0.39
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-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

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-1H-pyrimidin-6-one (CID 135408640) is 2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is UQFHLJKWYIJISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-4-3-6(9)8-5(2)7-4/h3H,1-2H3,(H,7,8,9).
What are the key properties of 2,4-dimethyl-1H-pyrimidin-6-one?
2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 124.14 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135408640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).