4-N-ethyl-2-N,2-N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine

C12H19N7 — CID 79738059

IUPAC4-N-ethyl-2-N,2-N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cc2nccn2C)nc(N(C)C)n1
InChIInChI=1S/C12H19N7/c1-5-13-11-15-9(16-12(17-11)18(2)3)8-10-14-6-7-19(10)4/h6-7H,5,8H2,1-4H3,(H,13,15,16,17)
InChIKeyZQWUDSJLURTFLJ-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.69
Rot. Bonds5

About 4-N-ethyl-2-N,2-N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine

4-N-ethyl-2-N,2-N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 79738059) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-N-ethyl-2-N,2-N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N,2-N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID79738059
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name4-N-ethyl-2-N,2-N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cc2nccn2C)nc(N(C)C)n1
InChIInChI=1S/C12H19N7/c1-5-13-11-15-9(16-12(17-11)18(2)3)8-10-14-6-7-19(10)4/h6-7H,5,8H2,1-4H3,(H,13,15,16,17)
InChIKeyZQWUDSJLURTFLJ-UHFFFAOYSA-N
XLogP0.69
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N-ethyl-2-N,2-N-dimethyl-6-[(1-methylimidazol-2-yl)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-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80811135
4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 79733828
N-ethyl-3-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 79738561
N-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 79738564
4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80814989
2-N-ethyl-5-fluoro-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 80829928
2-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327565
6-(2,2-dimethylhydrazinyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83027111
N-ethyl-5-methyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 79738756
6-N-ethyl-2-N,2-N-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 106411963
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80944629
4-N-ethyl-2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 114690853

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N,2-N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N,2-N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 79738059) is 4-N-ethyl-2-N,2-N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N,2-N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N,2-N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine is CCNc1nc(Cc2nccn2C)nc(N(C)C)n1.
What is the InChIKey of 4-N-ethyl-2-N,2-N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ZQWUDSJLURTFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-5-13-11-15-9(16-12(17-11)18(2)3)8-10-14-6-7-19(10)4/h6-7H,5,8H2,1-4H3,(H,13,15,16,17).
What are the key properties of 4-N-ethyl-2-N,2-N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N,2-N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 261.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N,2-N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 79738059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).