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

C10H12N4O — CID 12771939

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-one
SMILESCc1cc(C)nc(-n2[nH]c(=O)cc2C)n1
InChIInChI=1S/C10H12N4O/c1-6-4-7(2)12-10(11-6)14-8(3)5-9(15)13-14/h4-5H,1-3H3,(H,13,15)
InChIKeyDZSAZNMWXCZHEH-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.88
Rot. Bonds1

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

2-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-one (PubChem CID 12771939) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-one
PubChem CID12771939
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-one
SMILESCc1cc(C)nc(-n2[nH]c(=O)cc2C)n1
InChIInChI=1S/C10H12N4O/c1-6-4-7(2)12-10(11-6)14-8(3)5-9(15)13-14/h4-5H,1-3H3,(H,13,15)
InChIKeyDZSAZNMWXCZHEH-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

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Related Compounds

2-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]acetohydrazide
CID 668161
2-Hydrazinyl-4,6-dimethylpyrimidine
CID 350535
N-(Cyclopentylideneamino)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide
CID 696369
1-[(4,6-Dimethylpyrimidin-2-yl)amino]pyrrole-2,5-dione
CID 2028070
2-(4,6-Dimethylpyrimidin-2-yl)acetamide
CID 659932
N'-(2-amino-6-methylpyrimidin-4-yl)acetohydrazide
CID 828068
2-(4,6-dimethylpyrimidin-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
CID 4890845
2-(4,6-Dimethylpyrimidin-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
CID 12771908
2-Acetamido-4,6-dimethylpyrimidine
CID 3489296
4,6-Dimethylpyrimidine-2-carbohydrazide
CID 5085288
N-(4,6-dimethyl-2-pyrimidinyl)-2-methylpropanamide
CID 1234520
N'-(4,6-dimethylpyrimidin-2-yl)acetohydrazide
CID 685250

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-one?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-one (CID 12771939) is 2-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-one.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-one?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-one is Cc1cc(C)nc(-n2[nH]c(=O)cc2C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-one?
The InChIKey is DZSAZNMWXCZHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6-4-7(2)12-10(11-6)14-8(3)5-9(15)13-14/h4-5H,1-3H3,(H,13,15).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-one?
2-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-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)-3-methyl-1H-pyrazol-5-one is sourced from PubChem (CID 12771939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).