6-ethyl-6-methyl-1-phenylmethoxy-1,3,5-triazine-2,4-diamine;hydrochloride

C13H20ClN5O — CID 56665107

IUPAC6-ethyl-6-methyl-1-phenylmethoxy-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCCC1(C)N=C(N)N=C(N)N1OCc1ccccc1.Cl
InChIInChI=1S/C13H19N5O.ClH/c1-3-13(2)17-11(14)16-12(15)18(13)19-9-10-7-5-4-6-8-10;/h4-8H,3,9H2,1-2H3,(H4,14,15,16,17);1H
InChIKeyZQROTSOCGWYBGI-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.61
Rot. Bonds4

About 6-ethyl-6-methyl-1-phenylmethoxy-1,3,5-triazine-2,4-diamine;hydrochloride

6-ethyl-6-methyl-1-phenylmethoxy-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 56665107) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 6-ethyl-6-methyl-1-phenylmethoxy-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-ethyl-6-methyl-1-phenylmethoxy-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID56665107
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name6-ethyl-6-methyl-1-phenylmethoxy-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCCC1(C)N=C(N)N=C(N)N1OCc1ccccc1.Cl
InChIInChI=1S/C13H19N5O.ClH/c1-3-13(2)17-11(14)16-12(15)18(13)19-9-10-7-5-4-6-8-10;/h4-8H,3,9H2,1-2H3,(H4,14,15,16,17);1H
InChIKeyZQROTSOCGWYBGI-UHFFFAOYSA-N
XLogP1.61
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-6-methyl-1-phenylmethoxy-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-phenylmethoxy-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 6-ethyl-6-methyl-1-phenylmethoxy-1,3,5-triazine-2,4-diamine;hydrochloride (CID 56665107) is 6-ethyl-6-methyl-1-phenylmethoxy-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-ethyl-6-methyl-1-phenylmethoxy-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 6-ethyl-6-methyl-1-phenylmethoxy-1,3,5-triazine-2,4-diamine;hydrochloride is CCC1(C)N=C(N)N=C(N)N1OCc1ccccc1.Cl.
What is the InChIKey of 6-ethyl-6-methyl-1-phenylmethoxy-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is ZQROTSOCGWYBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O.ClH/c1-3-13(2)17-11(14)16-12(15)18(13)19-9-10-7-5-4-6-8-10;/h4-8H,3,9H2,1-2H3,(H4,14,15,16,17);1H.
What are the key properties of 6-ethyl-6-methyl-1-phenylmethoxy-1,3,5-triazine-2,4-diamine;hydrochloride?
6-ethyl-6-methyl-1-phenylmethoxy-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methyl-1-phenylmethoxy-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 56665107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).