6-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride

C14H22ClN5 — CID 56668842

IUPAC6-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCCC1(C)N=C(N)N=C(N)N1Cc1ccc(C)cc1.Cl
InChIInChI=1S/C14H21N5.ClH/c1-4-14(3)18-12(15)17-13(16)19(14)9-11-7-5-10(2)6-8-11;/h5-8H,4,9H2,1-3H3,(H4,15,16,17,18);1H
InChIKeyXENLWAVUVBDXSG-UHFFFAOYSA-N
MW295.82 g/mol
LogP1.99
Rot. Bonds3

About 6-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride

6-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 56668842) has the molecular formula C14H22ClN5 and a molecular weight of 295.82 g/mol. Its IUPAC name is 6-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID56668842
Molecular FormulaC14H22ClN5
Molecular Weight295.82 g/mol
Exact Mass295.16
IUPAC Name6-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCCC1(C)N=C(N)N=C(N)N1Cc1ccc(C)cc1.Cl
InChIInChI=1S/C14H21N5.ClH/c1-4-14(3)18-12(15)17-13(16)19(14)9-11-7-5-10(2)6-8-11;/h5-8H,4,9H2,1-3H3,(H4,15,16,17,18);1H
InChIKeyXENLWAVUVBDXSG-UHFFFAOYSA-N
XLogP1.99
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-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 6-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 6-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride (CID 56668842) is 6-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 6-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride is CCC1(C)N=C(N)N=C(N)N1Cc1ccc(C)cc1.Cl.
What is the InChIKey of 6-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is XENLWAVUVBDXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5.ClH/c1-4-14(3)18-12(15)17-13(16)19(14)9-11-7-5-10(2)6-8-11;/h5-8H,4,9H2,1-3H3,(H4,15,16,17,18);1H.
What are the key properties of 6-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride?
6-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 295.82 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 56668842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).