2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid

C9H14N4O2 — CID 2735518

IUPAC2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)nc(N(C)C)n1
InChIInChI=1S/C9H14N4O2/c1-12(2)7-5-6(8(14)15)10-9(11-7)13(3)4/h5H,1-4H3,(H,14,15)
InChIKeyDWPRJVXKQCFURP-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.31
Rot. Bonds3

About 2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid

2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid (PubChem CID 2735518) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid
PubChem CID2735518
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)nc(N(C)C)n1
InChIInChI=1S/C9H14N4O2/c1-12(2)7-5-6(8(14)15)10-9(11-7)13(3)4/h5H,1-4H3,(H,14,15)
InChIKeyDWPRJVXKQCFURP-UHFFFAOYSA-N
XLogP0.31
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6-bis(dimethylamino)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

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid (CID 2735518) is 2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid is CN(C)c1cc(C(=O)O)nc(N(C)C)n1.
What is the InChIKey of 2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid?
The InChIKey is DWPRJVXKQCFURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-12(2)7-5-6(8(14)15)10-9(11-7)13(3)4/h5H,1-4H3,(H,14,15).
What are the key properties of 2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid?
2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid has a molecular weight of 210.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 2735518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).