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

C11H17N7 — CID 6452249

IUPAC6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(C)cn1CCc1nc(N)nc(N)n1
InChIInChI=1S/C11H17N7/c1-3-9-14-7(2)6-18(9)5-4-8-15-10(12)17-11(13)16-8/h6H,3-5H2,1-2H3,(H4,12,13,15,16,17)
InChIKeyQKCRGKWVRITBFH-UHFFFAOYSA-N
MW247.31 g/mol
LogP0.35
Rot. Bonds4

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

6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 6452249) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID6452249
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(C)cn1CCc1nc(N)nc(N)n1
InChIInChI=1S/C11H17N7/c1-3-9-14-7(2)6-18(9)5-4-8-15-10(12)17-11(13)16-8/h6H,3-5H2,1-2H3,(H4,12,13,15,16,17)
InChIKeyQKCRGKWVRITBFH-UHFFFAOYSA-N
XLogP0.35
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1,5-Dimethylimidazole
CID 139158
1,3,5-Triazine-2,4-diamine, 6-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-
CID 162320
1,4-Dimethylimidazole
CID 138733
2-Methylimidazo[1,2-a]pyrazine
CID 14719920
1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-
CID 90327
3-Methyl-8-piperazin-1-ylimidazo[1,2-a]pyrazine;hydrochloride
CID 20299642
5-Methyl-8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazine
CID 10466448
2-Methyl-8-piperazin-1-ylimidazo[1,2-a]pyrazine;hydrochloride
CID 45261774
6-Methyl-8-piperazin-1-ylimidazo[1,2-a]pyrazine;hydrochloride
CID 45261791
3,5-Dimethyl-8-piperazin-1-ylimidazo[1,2-a]pyrazine;hydrochloride
CID 45261828
5-Methyl-8-piperazin-1-ylimidazo[1,2-a]pyrazine;hydrochloride
CID 45265149
3,6-Dimethyl-8-piperazin-1-ylimidazo[1,2-a]pyrazine;hydrochloride
CID 45265186

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 6452249) is 6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine is CCc1nc(C)cn1CCc1nc(N)nc(N)n1.
What is the InChIKey of 6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is QKCRGKWVRITBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-3-9-14-7(2)6-18(9)5-4-8-15-10(12)17-11(13)16-8/h6H,3-5H2,1-2H3,(H4,12,13,15,16,17).
What are the key properties of 6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 247.31 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6452249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).