4-N,4-N-diethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazine-2,4-diamine

C12H19N7 — CID 80857709

IUPAC4-N,4-N-diethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCc1nccn1-c1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C12H19N7/c1-4-9-14-7-8-19(9)12-16-10(13)15-11(17-12)18(5-2)6-3/h7-8H,4-6H2,1-3H3,(H2,13,15,16,17)
InChIKeyYPLMCGWHBMVAEL-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.05
Rot. Bonds5

About 4-N,4-N-diethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazine-2,4-diamine

4-N,4-N-diethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80857709) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80857709
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name4-N,4-N-diethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCc1nccn1-c1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C12H19N7/c1-4-9-14-7-8-19(9)12-16-10(13)15-11(17-12)18(5-2)6-3/h7-8H,4-6H2,1-3H3,(H2,13,15,16,17)
InChIKeyYPLMCGWHBMVAEL-UHFFFAOYSA-N
XLogP1.05
TPSA85.75 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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80811437
6-(2-ethylimidazol-1-yl)-4-N-methylpyrimidine-2,4-diamine
CID 80857537
2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80887073
1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol
CID 106674471
2-N,2-N,4-N-triethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80774543
4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80767241
4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773693
2-ethyl-6-(2-ethylimidazol-1-yl)pyrimidin-4-amine
CID 80941714
4-N,4-N-diethyl-6-(2H-tetrazin-3-yl)-1,3,5-triazine-2,4-diamine
CID 6419257
[2-(2-ethylimidazol-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83189867
6-(2-ethylimidazol-1-yl)pyrimidin-4-amine
CID 80857532
4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80779658

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 80857709) is 4-N,4-N-diethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazine-2,4-diamine is CCc1nccn1-c1nc(N)nc(N(CC)CC)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YPLMCGWHBMVAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-4-9-14-7-8-19(9)12-16-10(13)15-11(17-12)18(5-2)6-3/h7-8H,4-6H2,1-3H3,(H2,13,15,16,17).
What are the key properties of 4-N,4-N-diethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
4-N,4-N-diethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 261.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80857709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).