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

C13H20ClN5 — CID 44531873

IUPAC1-(2,3-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCc1cccc(N2C(N)=NC(N)=NC2(C)C)c1C.Cl
InChIInChI=1S/C13H19N5.ClH/c1-8-6-5-7-10(9(8)2)18-12(15)16-11(14)17-13(18,3)4;/h5-7H,1-4H3,(H4,14,15,16,17);1H
InChIKeyPWYATKWEUNFFEJ-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.91
Rot. Bonds1

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

1-(2,3-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 44531873) has the molecular formula C13H20ClN5 and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID44531873
Molecular FormulaC13H20ClN5
Molecular Weight281.79 g/mol
Exact Mass281.14
IUPAC Name1-(2,3-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCc1cccc(N2C(N)=NC(N)=NC2(C)C)c1C.Cl
InChIInChI=1S/C13H19N5.ClH/c1-8-6-5-7-10(9(8)2)18-12(15)16-11(14)17-13(18,3)4;/h5-7H,1-4H3,(H4,14,15,16,17);1H
InChIKeyPWYATKWEUNFFEJ-UHFFFAOYSA-N
XLogP1.91
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 1-(2,3-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride (CID 44531873) is 1-(2,3-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 1-(2,3-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride is Cc1cccc(N2C(N)=NC(N)=NC2(C)C)c1C.Cl.
What is the InChIKey of 1-(2,3-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is PWYATKWEUNFFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5.ClH/c1-8-6-5-7-10(9(8)2)18-12(15)16-11(14)17-13(18,3)4;/h5-7H,1-4H3,(H4,14,15,16,17);1H.
What are the key properties of 1-(2,3-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
1-(2,3-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 281.79 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44531873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).