2-(6-methoxy-2-methylpyrimidin-4-yl)propanoic acid

C9H12N2O3 — CID 126973200

IUPAC2-(6-methoxy-2-methylpyrimidin-4-yl)propanoic acid
SMILESCOc1cc(C(C)C(=O)O)nc(C)n1
InChIInChI=1S/C9H12N2O3/c1-5(9(12)13)7-4-8(14-3)11-6(2)10-7/h4-5H,1-3H3,(H,12,13)
InChIKeyBNTCFNMBSOVQSX-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.98
Rot. Bonds3

About 2-(6-methoxy-2-methylpyrimidin-4-yl)propanoic acid

2-(6-methoxy-2-methylpyrimidin-4-yl)propanoic acid (PubChem CID 126973200) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(6-methoxy-2-methylpyrimidin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-methoxy-2-methylpyrimidin-4-yl)propanoic acid
PubChem CID126973200
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(6-methoxy-2-methylpyrimidin-4-yl)propanoic acid
SMILESCOc1cc(C(C)C(=O)O)nc(C)n1
InChIInChI=1S/C9H12N2O3/c1-5(9(12)13)7-4-8(14-3)11-6(2)10-7/h4-5H,1-3H3,(H,12,13)
InChIKeyBNTCFNMBSOVQSX-UHFFFAOYSA-N
XLogP0.98
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-methoxy-2-methylpyrimidin-4-yl)propanoic 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-methoxy-2-methylpyrimidin-4-yl)propanoic acid?
The IUPAC name of 2-(6-methoxy-2-methylpyrimidin-4-yl)propanoic acid (CID 126973200) is 2-(6-methoxy-2-methylpyrimidin-4-yl)propanoic acid.
What is the SMILES notation for 2-(6-methoxy-2-methylpyrimidin-4-yl)propanoic acid?
The canonical SMILES for 2-(6-methoxy-2-methylpyrimidin-4-yl)propanoic acid is COc1cc(C(C)C(=O)O)nc(C)n1.
What is the InChIKey of 2-(6-methoxy-2-methylpyrimidin-4-yl)propanoic acid?
The InChIKey is BNTCFNMBSOVQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5(9(12)13)7-4-8(14-3)11-6(2)10-7/h4-5H,1-3H3,(H,12,13).
What are the key properties of 2-(6-methoxy-2-methylpyrimidin-4-yl)propanoic acid?
2-(6-methoxy-2-methylpyrimidin-4-yl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-methylpyrimidin-4-yl)propanoic acid is sourced from PubChem (CID 126973200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).