2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid

C7H10ClN5O2 — CID 71359569

IUPAC2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid
SMILESCC(C)(Nc1nc(N)nc(Cl)n1)C(=O)O
InChIInChI=1S/C7H10ClN5O2/c1-7(2,3(14)15)13-6-11-4(8)10-5(9)12-6/h1-2H3,(H,14,15)(H3,9,10,11,12,13)
InChIKeyGOVSIGWGHYIRFN-UHFFFAOYSA-N
MW231.64 g/mol
LogP0.38
Rot. Bonds3

About 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid

2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid (PubChem CID 71359569) has the molecular formula C7H10ClN5O2 and a molecular weight of 231.64 g/mol. Its IUPAC name is 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid
PubChem CID71359569
Molecular FormulaC7H10ClN5O2
Molecular Weight231.64 g/mol
Exact Mass231.05
IUPAC Name2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid
SMILESCC(C)(Nc1nc(N)nc(Cl)n1)C(=O)O
InChIInChI=1S/C7H10ClN5O2/c1-7(2,3(14)15)13-6-11-4(8)10-5(9)12-6/h1-2H3,(H,14,15)(H3,9,10,11,12,13)
InChIKeyGOVSIGWGHYIRFN-UHFFFAOYSA-N
XLogP0.38
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(4-amino-6-chloro-1,3,5-triazin-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-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid (CID 71359569) is 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid is CC(C)(Nc1nc(N)nc(Cl)n1)C(=O)O.
What is the InChIKey of 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is GOVSIGWGHYIRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN5O2/c1-7(2,3(14)15)13-6-11-4(8)10-5(9)12-6/h1-2H3,(H,14,15)(H3,9,10,11,12,13).
What are the key properties of 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid?
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 231.64 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 71359569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).