[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

CID 3242
CID 3242
CID 3458206
CID 3458206
CID 12771928
CID 12771928
CID 177304685
CID 177304685
CID 14117591
CID 14117591
CID 10199326
CID 10199326
CID 12771931
CID 12771931
CID 44183411
CID 44183411
CID 12771929
CID 12771929
CID 12771930
CID 12771930
CID 12771935
CID 12771935
CID 13289507
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).