6-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C13H17N5O3 — CID 80867209

IUPAC6-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(OC)cc(Oc2nc(N)nc(N(C)C)n2)c1
InChIInChI=1S/C13H17N5O3/c1-18(2)12-15-11(14)16-13(17-12)21-10-6-8(19-3)5-9(7-10)20-4/h5-7H,1-4H3,(H2,14,15,16,17)
InChIKeyFOCNUSSISOBQAM-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.33
Rot. Bonds5

About 6-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80867209) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80867209
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name6-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(OC)cc(Oc2nc(N)nc(N(C)C)n2)c1
InChIInChI=1S/C13H17N5O3/c1-18(2)12-15-11(14)16-13(17-12)21-10-6-8(19-3)5-9(7-10)20-4/h5-7H,1-4H3,(H2,14,15,16,17)
InChIKeyFOCNUSSISOBQAM-UHFFFAOYSA-N
XLogP1.33
TPSA95.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-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-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 80867209) is 6-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is COc1cc(OC)cc(Oc2nc(N)nc(N(C)C)n2)c1.
What is the InChIKey of 6-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FOCNUSSISOBQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-18(2)12-15-11(14)16-13(17-12)21-10-6-8(19-3)5-9(7-10)20-4/h5-7H,1-4H3,(H2,14,15,16,17).
What are the key properties of 6-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 291.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80867209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).