2-amino-5,6-dimethylpyrimidine-4-carboxylic acid

C7H9N3O2 — CID 83858605

IUPAC2-amino-5,6-dimethylpyrimidine-4-carboxylic acid
SMILESCc1nc(N)nc(C(=O)O)c1C
InChIInChI=1S/C7H9N3O2/c1-3-4(2)9-7(8)10-5(3)6(11)12/h1-2H3,(H,11,12)(H2,8,9,10)
InChIKeyLLUGXQYAEYWZQB-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.37
Rot. Bonds1

About 2-amino-5,6-dimethylpyrimidine-4-carboxylic acid

2-amino-5,6-dimethylpyrimidine-4-carboxylic acid (PubChem CID 83858605) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-amino-5,6-dimethylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5,6-dimethylpyrimidine-4-carboxylic acid
PubChem CID83858605
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2-amino-5,6-dimethylpyrimidine-4-carboxylic acid
SMILESCc1nc(N)nc(C(=O)O)c1C
InChIInChI=1S/C7H9N3O2/c1-3-4(2)9-7(8)10-5(3)6(11)12/h1-2H3,(H,11,12)(H2,8,9,10)
InChIKeyLLUGXQYAEYWZQB-UHFFFAOYSA-N
XLogP0.37
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-5,6-dimethylpyrimidine-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

4,5,6-trimethylpyridine-2,3-dicarboxylic acid
CID 23469808
3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride
CID 70617975
2,6-diamino-5-propan-2-ylpyrimidine-4-carboxylic acid
CID 84666802
4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid
CID 137422664
4-amino-8-hydroxy-2,3-dimethyl-1,6-naphthyridine-7-carboxylic acid
CID 174495308
5-amino-6-bromo-3-methylpyrazine-2-carboxylic acid
CID 130116172
3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid
CID 129321029
4,5-dimethyl-6-methylsulfonylpyrimidin-2-amine
CID 83916145
azane;carbonic acid;1,3,5-triazine-2,4,6-triamine
CID 174964625
4-amino-5,7-dichloro-3-methylquinoline-2-carboxylic acid
CID 67839502
2-amino-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-4-carboxylic acid
CID 83862914
2-amino-5-methoxypyrimidine-4-carboxylic acid
CID 83816093

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dimethylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-amino-5,6-dimethylpyrimidine-4-carboxylic acid (CID 83858605) is 2-amino-5,6-dimethylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5,6-dimethylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-amino-5,6-dimethylpyrimidine-4-carboxylic acid is Cc1nc(N)nc(C(=O)O)c1C.
What is the InChIKey of 2-amino-5,6-dimethylpyrimidine-4-carboxylic acid?
The InChIKey is LLUGXQYAEYWZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-3-4(2)9-7(8)10-5(3)6(11)12/h1-2H3,(H,11,12)(H2,8,9,10).
What are the key properties of 2-amino-5,6-dimethylpyrimidine-4-carboxylic acid?
2-amino-5,6-dimethylpyrimidine-4-carboxylic acid has a molecular weight of 167.17 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dimethylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 83858605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).