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

C11H14N4O2 — CID 3437175

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-5-(methoxymethyl)-4H-pyrazol-3-one
SMILESCOCC1=NN(c2nc(C)cc(C)n2)C(=O)C1
InChIInChI=1S/C11H14N4O2/c1-7-4-8(2)13-11(12-7)15-10(16)5-9(14-15)6-17-3/h4H,5-6H2,1-3H3
InChIKeyJBRGCIZYWXLVKZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.83
Rot. Bonds3

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

2-(4,6-dimethylpyrimidin-2-yl)-5-(methoxymethyl)-4H-pyrazol-3-one (PubChem CID 3437175) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-5-(methoxymethyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-5-(methoxymethyl)-4H-pyrazol-3-one
PubChem CID3437175
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-5-(methoxymethyl)-4H-pyrazol-3-one
SMILESCOCC1=NN(c2nc(C)cc(C)n2)C(=O)C1
InChIInChI=1S/C11H14N4O2/c1-7-4-8(2)13-11(12-7)15-10(16)5-9(14-15)6-17-3/h4H,5-6H2,1-3H3
InChIKeyJBRGCIZYWXLVKZ-UHFFFAOYSA-N
XLogP0.83
TPSA67.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-5-(methoxymethyl)-4H-pyrazol-3-one?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-5-(methoxymethyl)-4H-pyrazol-3-one (CID 3437175) is 2-(4,6-dimethylpyrimidin-2-yl)-5-(methoxymethyl)-4H-pyrazol-3-one.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-5-(methoxymethyl)-4H-pyrazol-3-one?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-5-(methoxymethyl)-4H-pyrazol-3-one is COCC1=NN(c2nc(C)cc(C)n2)C(=O)C1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-5-(methoxymethyl)-4H-pyrazol-3-one?
The InChIKey is JBRGCIZYWXLVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7-4-8(2)13-11(12-7)15-10(16)5-9(14-15)6-17-3/h4H,5-6H2,1-3H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-5-(methoxymethyl)-4H-pyrazol-3-one?
2-(4,6-dimethylpyrimidin-2-yl)-5-(methoxymethyl)-4H-pyrazol-3-one has a molecular weight of 234.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-5-(methoxymethyl)-4H-pyrazol-3-one is sourced from PubChem (CID 3437175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).