2-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid

C11H16N2O4 — CID 107555073

IUPAC2-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid
SMILESCOC(C)(C)CCOc1nccc(C(=O)O)n1
InChIInChI=1S/C11H16N2O4/c1-11(2,16-3)5-7-17-10-12-6-4-8(13-10)9(14)15/h4,6H,5,7H2,1-3H3,(H,14,15)
InChIKeyNDINMUMLERLTNO-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.37
Rot. Bonds6

About 2-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid

2-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid (PubChem CID 107555073) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid
PubChem CID107555073
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid
SMILESCOC(C)(C)CCOc1nccc(C(=O)O)n1
InChIInChI=1S/C11H16N2O4/c1-11(2,16-3)5-7-17-10-12-6-4-8(13-10)9(14)15/h4,6H,5,7H2,1-3H3,(H,14,15)
InChIKeyNDINMUMLERLTNO-UHFFFAOYSA-N
XLogP1.37
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methoxy-3-methylbutoxy)pyrimidine-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

Related Compounds

4-Pyrimidinecarboxylic acid
CID 169306
2-Methyl-4-pyrimidinecarboxylic acid
CID 18676097
Methyl pyrimidine-4-carboxylate
CID 254248
2-Aminopyrimidine-4-carboxylic acid
CID 247194
Ethyl pyrimidine-4-carboxylate
CID 13639438
2-Chloropyrimidine-4-carboxylic acid
CID 22135751
4-Pyrimidinecarboxylic acid, 2-bromo-
CID 72710417
2-(Methylsulfanyl)pyrimidine-4-carboxylic acid
CID 295775
2-(Morpholin-4-yl)pyrimidine-4-carboxylic acid
CID 12570280
Methyl 2-methoxypyrimidine-4-carboxylate
CID 12570284
2-Methoxypyrimidine-4-carboxylic acid
CID 12570285
Methyl 2-methylpyrimidine-4-carboxylate
CID 12946332

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid (CID 107555073) is 2-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid is COC(C)(C)CCOc1nccc(C(=O)O)n1.
What is the InChIKey of 2-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid?
The InChIKey is NDINMUMLERLTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-11(2,16-3)5-7-17-10-12-6-4-8(13-10)9(14)15/h4,6H,5,7H2,1-3H3,(H,14,15).
What are the key properties of 2-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid?
2-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107555073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).