2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropanoic acid

C10H15N3O2 — CID 741704

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropanoic acid
SMILESCc1cc(C)nc(NC(C)(C)C(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-6-5-7(2)12-9(11-6)13-10(3,4)8(14)15/h5H,1-4H3,(H,14,15)(H,11,12,13)
InChIKeyFJGGQSQOYIRBGE-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.37
Rot. Bonds3

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropanoic acid

2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropanoic acid (PubChem CID 741704) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropanoic acid
PubChem CID741704
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropanoic acid
SMILESCc1cc(C)nc(NC(C)(C)C(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-6-5-7(2)12-9(11-6)13-10(3,4)8(14)15/h5H,1-4H3,(H,14,15)(H,11,12,13)
InChIKeyFJGGQSQOYIRBGE-UHFFFAOYSA-N
XLogP1.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropanoic 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-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropanoic acid (CID 741704) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropanoic acid is Cc1cc(C)nc(NC(C)(C)C(=O)O)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is FJGGQSQOYIRBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-5-7(2)12-9(11-6)13-10(3,4)8(14)15/h5H,1-4H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropanoic acid?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 741704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).