6-(2,4-dimethylphenoxy)-1,3,5-triazine-2,4-diamine

C11H13N5O — CID 134914191

IUPAC6-(2,4-dimethylphenoxy)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Oc2nc(N)nc(N)n2)c(C)c1
InChIInChI=1S/C11H13N5O/c1-6-3-4-8(7(2)5-6)17-11-15-9(12)14-10(13)16-11/h3-5H,1-2H3,(H4,12,13,14,15,16)
InChIKeyOGXIQWYTCIBNIK-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.45
Rot. Bonds2

About 6-(2,4-dimethylphenoxy)-1,3,5-triazine-2,4-diamine

6-(2,4-dimethylphenoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 134914191) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-(2,4-dimethylphenoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2,4-dimethylphenoxy)-1,3,5-triazine-2,4-diamine
PubChem CID134914191
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name6-(2,4-dimethylphenoxy)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Oc2nc(N)nc(N)n2)c(C)c1
InChIInChI=1S/C11H13N5O/c1-6-3-4-8(7(2)5-6)17-11-15-9(12)14-10(13)16-11/h3-5H,1-2H3,(H4,12,13,14,15,16)
InChIKeyOGXIQWYTCIBNIK-UHFFFAOYSA-N
XLogP1.45
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2,4-dimethylphenoxy)-1,3,5-triazine-2,4-diamine 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 6-(2,4-dimethylphenoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2,4-dimethylphenoxy)-1,3,5-triazine-2,4-diamine (CID 134914191) is 6-(2,4-dimethylphenoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2,4-dimethylphenoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2,4-dimethylphenoxy)-1,3,5-triazine-2,4-diamine is Cc1ccc(Oc2nc(N)nc(N)n2)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylphenoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is OGXIQWYTCIBNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-6-3-4-8(7(2)5-6)17-11-15-9(12)14-10(13)16-11/h3-5H,1-2H3,(H4,12,13,14,15,16).
What are the key properties of 6-(2,4-dimethylphenoxy)-1,3,5-triazine-2,4-diamine?
6-(2,4-dimethylphenoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 231.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 134914191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).