2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one

C10H12N4O — CID 135449532

IUPAC2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc(C)cc2C)n1
InChIInChI=1S/C10H12N4O/c1-6-5-9(15)12-10(11-6)14-8(3)4-7(2)13-14/h4-5H,1-3H3,(H,11,12,15)
InChIKeyXIFVEJXUSTTZKD-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.88
Rot. Bonds1

About 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one

2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135449532) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135449532
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc(C)cc2C)n1
InChIInChI=1S/C10H12N4O/c1-6-5-9(15)12-10(11-6)14-8(3)4-7(2)13-14/h4-5H,1-3H3,(H,11,12,15)
InChIKeyXIFVEJXUSTTZKD-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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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one (CID 135449532) is 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is XIFVEJXUSTTZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6-5-9(15)12-10(11-6)14-8(3)4-7(2)13-14/h4-5H,1-3H3,(H,11,12,15).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-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-(3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135449532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).