[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate

C12H14N4O2 — CID 17122164

IUPAC[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate
SMILESCC(=O)Oc1cc(C)nn1-c1nc(C)cc(C)n1
InChIInChI=1S/C12H14N4O2/c1-7-5-8(2)14-12(13-7)16-11(18-10(4)17)6-9(3)15-16/h5-6H,1-4H3
InChIKeyQBFNHGKZNJPZHU-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.51
Rot. Bonds2

About [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate

[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate (PubChem CID 17122164) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate.

Molecular Properties

Compound Name[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate
PubChem CID17122164
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate
SMILESCC(=O)Oc1cc(C)nn1-c1nc(C)cc(C)n1
InChIInChI=1S/C12H14N4O2/c1-7-5-8(2)14-12(13-7)16-11(18-10(4)17)6-9(3)15-16/h5-6H,1-4H3
InChIKeyQBFNHGKZNJPZHU-UHFFFAOYSA-N
XLogP1.51
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Epirizole
CID 3242
2-(3,5-Dimethylpyrazol-1-yl)-4-methoxy-6-methylpyrimidine
CID 3458206
2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)-4,6-dimethylpyrimidine
CID 12771928
[5-Methyl-2-(3,5,6-trimethylpyrazin-2-yl)pyrazol-3-yl] 2,2,2-trifluoroacetate
CID 177304685
2-Methoxy-6-methyl-4-pyrimidinyl acetate
CID 14117591
Epirizole hydrochloride
CID 10199326
4-Methoxy-2-(3-methoxy-5-methylpyrazol-1-yl)-6-methylpyrimidine
CID 12771931
2-(3,5-Dimethylpyrazol-1-yl)-4,6-dimethoxypyrimidine
CID 44183411
4,6-Dimethoxy-2-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine
CID 12771929
2-(3-methoxy-5-methyl-1H-pyrazol-1-yl)-4,6-dimethylpyrimidine
CID 12771930
2,4-dimethoxy-6-(5-methoxy-3-methyl-1H-pyrazol-1-yl)pyrimidine
CID 12771935
5,7-Dimethylpyrazolo[1,5-a]pyrimidin-2-yl chloroacetate
CID 13289507

Frequently Asked Questions

What is the IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate?
The IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate (CID 17122164) is [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate.
What is the SMILES notation for [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate?
The canonical SMILES for [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate is CC(=O)Oc1cc(C)nn1-c1nc(C)cc(C)n1.
What is the InChIKey of [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate?
The InChIKey is QBFNHGKZNJPZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-5-8(2)14-12(13-7)16-11(18-10(4)17)6-9(3)15-16/h5-6H,1-4H3.
What are the key properties of [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate?
[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate has a molecular weight of 246.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate is sourced from PubChem (CID 17122164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).