2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid

C13H16N4O2 — CID 16776719

IUPAC2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCc1cc(C)nc(-n2nc(C)c(CC(=O)O)c2C)n1
InChIInChI=1S/C13H16N4O2/c1-7-5-8(2)15-13(14-7)17-10(4)11(6-12(18)19)9(3)16-17/h5H,6H2,1-4H3,(H,18,19)
InChIKeyQOIUFWBNBTVFLB-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.52
Rot. Bonds3

About 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid

2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid (PubChem CID 16776719) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
PubChem CID16776719
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCc1cc(C)nc(-n2nc(C)c(CC(=O)O)c2C)n1
InChIInChI=1S/C13H16N4O2/c1-7-5-8(2)15-13(14-7)17-10(4)11(6-12(18)19)9(3)16-17/h5H,6H2,1-4H3,(H,18,19)
InChIKeyQOIUFWBNBTVFLB-UHFFFAOYSA-N
XLogP1.52
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid (CID 16776719) is 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid is Cc1cc(C)nc(-n2nc(C)c(CC(=O)O)c2C)n1.
What is the InChIKey of 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The InChIKey is QOIUFWBNBTVFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-7-5-8(2)15-13(14-7)17-10(4)11(6-12(18)19)9(3)16-17/h5H,6H2,1-4H3,(H,18,19).
What are the key properties of 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid?
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid has a molecular weight of 260.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 16776719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).