6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid

C9H12N2O3 — CID 55269383

IUPAC6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(OC(C)C)n1
InChIInChI=1S/C9H12N2O3/c1-5(2)14-9-10-6(3)4-7(11-9)8(12)13/h4-5H,1-3H3,(H,12,13)
InChIKeyWGSOYBGCKNEAEJ-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.27
Rot. Bonds3

About 6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid

6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid (PubChem CID 55269383) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid
PubChem CID55269383
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(OC(C)C)n1
InChIInChI=1S/C9H12N2O3/c1-5(2)14-9-10-6(3)4-7(11-9)8(12)13/h4-5H,1-3H3,(H,12,13)
InChIKeyWGSOYBGCKNEAEJ-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-propan-2-yloxypyrimidine-4-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 6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid (CID 55269383) is 6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(OC(C)C)n1.
What is the InChIKey of 6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid?
The InChIKey is WGSOYBGCKNEAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5(2)14-9-10-6(3)4-7(11-9)8(12)13/h4-5H,1-3H3,(H,12,13).
What are the key properties of 6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid?
6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid is sourced from PubChem (CID 55269383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).