6-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine

C11H17N7 — CID 22373920

IUPAC6-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(CCc2nc(N)nc(N)n2)c(C)[nH]1
InChIInChI=1S/C11H17N7/c1-3-8-14-6(2)7(15-8)4-5-9-16-10(12)18-11(13)17-9/h3-5H2,1-2H3,(H,14,15)(H4,12,13,16,17,18)
InChIKeyRNGKTOCAINTFOP-UHFFFAOYSA-N
MW247.31 g/mol
LogP0.42
Rot. Bonds4

About 6-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine

6-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 22373920) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 6-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID22373920
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name6-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(CCc2nc(N)nc(N)n2)c(C)[nH]1
InChIInChI=1S/C11H17N7/c1-3-8-14-6(2)7(15-8)4-5-9-16-10(12)18-11(13)17-9/h3-5H2,1-2H3,(H,14,15)(H4,12,13,16,17,18)
InChIKeyRNGKTOCAINTFOP-UHFFFAOYSA-N
XLogP0.42
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethyl]-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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 22373920) is 6-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine is CCc1nc(CCc2nc(N)nc(N)n2)c(C)[nH]1.
What is the InChIKey of 6-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is RNGKTOCAINTFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-3-8-14-6(2)7(15-8)4-5-9-16-10(12)18-11(13)17-9/h3-5H2,1-2H3,(H,14,15)(H4,12,13,16,17,18).
What are the key properties of 6-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 247.31 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22373920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).