2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one

C10H12N4O — CID 12771908

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(C)nc(-n2[nH]c(C)cc2=O)n1
InChIInChI=1S/C10H12N4O/c1-6-4-7(2)12-10(11-6)14-9(15)5-8(3)13-14/h4-5,13H,1-3H3
InChIKeyLQOUDVFXKBJRKL-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.88
Rot. Bonds1

About 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one

2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one (PubChem CID 12771908) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one
PubChem CID12771908
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(C)nc(-n2[nH]c(C)cc2=O)n1
InChIInChI=1S/C10H12N4O/c1-6-4-7(2)12-10(11-6)14-9(15)5-8(3)13-14/h4-5,13H,1-3H3
InChIKeyLQOUDVFXKBJRKL-UHFFFAOYSA-N
XLogP0.88
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-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-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one (CID 12771908) is 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one is Cc1cc(C)nc(-n2[nH]c(C)cc2=O)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one?
The InChIKey is LQOUDVFXKBJRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6-4-7(2)12-10(11-6)14-9(15)5-8(3)13-14/h4-5,13H,1-3H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one?
2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one has a molecular weight of 204.23 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 12771908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).