6-ethoxy-2-N-(2-imidazol-1-ylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine

C11H17N7O — CID 80802958

IUPAC6-ethoxy-2-N-(2-imidazol-1-ylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NCCn2ccnc2)n1
InChIInChI=1S/C11H17N7O/c1-3-19-11-16-9(12-2)15-10(17-11)14-5-7-18-6-4-13-8-18/h4,6,8H,3,5,7H2,1-2H3,(H2,12,14,15,16,17)
InChIKeyJEFAZQXTLKJLAN-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.62
Rot. Bonds7

About 6-ethoxy-2-N-(2-imidazol-1-ylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-(2-imidazol-1-ylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80802958) has the molecular formula C11H17N7O and a molecular weight of 263.31 g/mol. Its IUPAC name is 6-ethoxy-2-N-(2-imidazol-1-ylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(2-imidazol-1-ylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80802958
Molecular FormulaC11H17N7O
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC Name6-ethoxy-2-N-(2-imidazol-1-ylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NCCn2ccnc2)n1
InChIInChI=1S/C11H17N7O/c1-3-19-11-16-9(12-2)15-10(17-11)14-5-7-18-6-4-13-8-18/h4,6,8H,3,5,7H2,1-2H3,(H2,12,14,15,16,17)
InChIKeyJEFAZQXTLKJLAN-UHFFFAOYSA-N
XLogP0.62
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-ethoxy-2-N-(2-imidazol-1-ylethyl)-4-N-methyl-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

Related Compounds

6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80809601
4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80778958
4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80809698
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine
CID 113434060
N-[2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80787373
4-ethoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853680
4-N-(2-imidazol-1-ylethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80809045
4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80809242
2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80783995
2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80846117
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-imidazol-1-ylpropyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23787659

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(2-imidazol-1-ylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-(2-imidazol-1-ylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80802958) is 6-ethoxy-2-N-(2-imidazol-1-ylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(2-imidazol-1-ylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-(2-imidazol-1-ylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is CCOc1nc(NC)nc(NCCn2ccnc2)n1.
What is the InChIKey of 6-ethoxy-2-N-(2-imidazol-1-ylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JEFAZQXTLKJLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-3-19-11-16-9(12-2)15-10(17-11)14-5-7-18-6-4-13-8-18/h4,6,8H,3,5,7H2,1-2H3,(H2,12,14,15,16,17).
What are the key properties of 6-ethoxy-2-N-(2-imidazol-1-ylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-(2-imidazol-1-ylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 263.31 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(2-imidazol-1-ylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80802958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).