2-(6-propan-2-ylpyrimidin-4-yl)oxyacetic acid

C9H12N2O3 — CID 94075181

IUPAC2-(6-propan-2-ylpyrimidin-4-yl)oxyacetic acid
SMILESCC(C)c1cc(OCC(=O)O)ncn1
InChIInChI=1S/C9H12N2O3/c1-6(2)7-3-8(11-5-10-7)14-4-9(12)13/h3,5-6H,4H2,1-2H3,(H,12,13)
InChIKeyFBAKXJNAIKZNOT-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.06
Rot. Bonds4

About 2-(6-propan-2-ylpyrimidin-4-yl)oxyacetic acid

2-(6-propan-2-ylpyrimidin-4-yl)oxyacetic acid (PubChem CID 94075181) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(6-propan-2-ylpyrimidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(6-propan-2-ylpyrimidin-4-yl)oxyacetic acid
PubChem CID94075181
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(6-propan-2-ylpyrimidin-4-yl)oxyacetic acid
SMILESCC(C)c1cc(OCC(=O)O)ncn1
InChIInChI=1S/C9H12N2O3/c1-6(2)7-3-8(11-5-10-7)14-4-9(12)13/h3,5-6H,4H2,1-2H3,(H,12,13)
InChIKeyFBAKXJNAIKZNOT-UHFFFAOYSA-N
XLogP1.06
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-propan-2-ylpyrimidin-4-yl)oxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-propan-2-ylpyrimidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(6-propan-2-ylpyrimidin-4-yl)oxyacetic acid (CID 94075181) is 2-(6-propan-2-ylpyrimidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(6-propan-2-ylpyrimidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(6-propan-2-ylpyrimidin-4-yl)oxyacetic acid is CC(C)c1cc(OCC(=O)O)ncn1.
What is the InChIKey of 2-(6-propan-2-ylpyrimidin-4-yl)oxyacetic acid?
The InChIKey is FBAKXJNAIKZNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6(2)7-3-8(11-5-10-7)14-4-9(12)13/h3,5-6H,4H2,1-2H3,(H,12,13).
What are the key properties of 2-(6-propan-2-ylpyrimidin-4-yl)oxyacetic acid?
2-(6-propan-2-ylpyrimidin-4-yl)oxyacetic acid has a molecular weight of 196.21 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-propan-2-ylpyrimidin-4-yl)oxyacetic acid is sourced from PubChem (CID 94075181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).