2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine

C13H27N7 — CID 80833360

IUPAC2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(C)CCNc1nc(NC)nc(N(CC)CC)n1
InChIInChI=1S/C13H27N7/c1-6-19(5)10-9-15-12-16-11(14-4)17-13(18-12)20(7-2)8-3/h6-10H2,1-5H3,(H2,14,15,16,17,18)
InChIKeyYOFIAOIBJCSXNA-UHFFFAOYSA-N
MW281.41 g/mol
LogP1.12
Rot. Bonds9

About 2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80833360) has the molecular formula C13H27N7 and a molecular weight of 281.41 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80833360
Molecular FormulaC13H27N7
Molecular Weight281.41 g/mol
Exact Mass281.23
IUPAC Name2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(C)CCNc1nc(NC)nc(N(CC)CC)n1
InChIInChI=1S/C13H27N7/c1-6-19(5)10-9-15-12-16-11(14-4)17-13(18-12)20(7-2)8-3/h6-10H2,1-5H3,(H2,14,15,16,17,18)
InChIKeyYOFIAOIBJCSXNA-UHFFFAOYSA-N
XLogP1.12
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine 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

2-N,2-N-diethyl-4-N-(2-methoxyethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80766275
4-N-(2-cyclopropylethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80847463
4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80768855
4-N-[2-(dimethylamino)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80770283
5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide
CID 106241626
4-N-[2-(dimethylamino)ethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80769996
2-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80783182
2-N,2-N-diethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80804891
2-N,2-N-diethyl-6-N-methyl-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80773355
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80851247
2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80773692
2-N,2-N-diethyl-6-N-methyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80818773

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 80833360) is 2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine is CCN(C)CCNc1nc(NC)nc(N(CC)CC)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is YOFIAOIBJCSXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N7/c1-6-19(5)10-9-15-12-16-11(14-4)17-13(18-12)20(7-2)8-3/h6-10H2,1-5H3,(H2,14,15,16,17,18).
What are the key properties of 2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 281.41 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80833360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).