2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid

C11H16N2O3 — CID 116775077

IUPAC2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid
SMILESCCC(C)(OC)c1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C11H16N2O3/c1-5-11(3,16-4)10-12-6-8(9(14)15)7(2)13-10/h6H,5H2,1-4H3,(H,14,15)
InChIKeyQGGFQDAFZVDDHG-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.75
Rot. Bonds4

About 2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid

2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 116775077) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid
PubChem CID116775077
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid
SMILESCCC(C)(OC)c1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C11H16N2O3/c1-5-11(3,16-4)10-12-6-8(9(14)15)7(2)13-10/h6H,5H2,1-4H3,(H,14,15)
InChIKeyQGGFQDAFZVDDHG-UHFFFAOYSA-N
XLogP1.75
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic 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-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid (CID 116775077) is 2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid is CCC(C)(OC)c1ncc(C(=O)O)c(C)n1.
What is the InChIKey of 2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is QGGFQDAFZVDDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-5-11(3,16-4)10-12-6-8(9(14)15)7(2)13-10/h6H,5H2,1-4H3,(H,14,15).
What are the key properties of 2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid?
2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 116775077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).