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

C17H17N5O — CID 2047338

IUPAC6-[4-(3,4-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)cc1C
InChIInChI=1S/C17H17N5O/c1-10-3-6-14(9-11(10)2)23-13-7-4-12(5-8-13)15-20-16(18)22-17(19)21-15/h3-9H,1-2H3,(H4,18,19,20,21,22)
InChIKeyRDOIDHBREUYMGF-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.11
Rot. Bonds3

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

6-[4-(3,4-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 2047338) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 6-[4-(3,4-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-(3,4-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID2047338
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name6-[4-(3,4-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)cc1C
InChIInChI=1S/C17H17N5O/c1-10-3-6-14(9-11(10)2)23-13-7-4-12(5-8-13)15-20-16(18)22-17(19)21-15/h3-9H,1-2H3,(H4,18,19,20,21,22)
InChIKeyRDOIDHBREUYMGF-UHFFFAOYSA-N
XLogP3.11
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-(3,4-dimethylphenoxy)phenyl]-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-[4-(3,4-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-(3,4-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine (CID 2047338) is 6-[4-(3,4-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-(3,4-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-(3,4-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine is Cc1ccc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)cc1C.
What is the InChIKey of 6-[4-(3,4-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is RDOIDHBREUYMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-10-3-6-14(9-11(10)2)23-13-7-4-12(5-8-13)15-20-16(18)22-17(19)21-15/h3-9H,1-2H3,(H4,18,19,20,21,22).
What are the key properties of 6-[4-(3,4-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
6-[4-(3,4-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 307.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,4-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2047338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).