1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride

C13H20ClN5O — CID 6603416

IUPAC1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCCOc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.Cl
InChIInChI=1S/C13H19N5O.ClH/c1-4-19-10-7-5-9(6-8-10)18-12(15)16-11(14)17-13(18,2)3;/h5-8H,4H2,1-3H3,(H4,14,15,16,17);1H
InChIKeyZWDQHIQCUROYHG-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.69
Rot. Bonds3

About 1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride

1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 6603416) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID6603416
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCCOc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.Cl
InChIInChI=1S/C13H19N5O.ClH/c1-4-19-10-7-5-9(6-8-10)18-12(15)16-11(14)17-13(18,2)3;/h5-8H,4H2,1-3H3,(H4,14,15,16,17);1H
InChIKeyZWDQHIQCUROYHG-UHFFFAOYSA-N
XLogP1.69
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride 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 1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride (CID 6603416) is 1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride is CCOc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.Cl.
What is the InChIKey of 1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is ZWDQHIQCUROYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O.ClH/c1-4-19-10-7-5-9(6-8-10)18-12(15)16-11(14)17-13(18,2)3;/h5-8H,4H2,1-3H3,(H4,14,15,16,17);1H.
What are the key properties of 1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 6603416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).