4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine

C14H23N7 — CID 80779658

IUPAC4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(CC)CN(CC)c1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C14H23N7/c1-4-11(5-2)9-20(6-3)13-17-12(15)18-14(19-13)21-8-7-16-10-21/h7-8,10-11H,4-6,9H2,1-3H3,(H2,15,17,18,19)
InChIKeyNGDLMKPEDAXANM-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.90
Rot. Bonds7

About 4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine

4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80779658) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80779658
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(CC)CN(CC)c1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C14H23N7/c1-4-11(5-2)9-20(6-3)13-17-12(15)18-14(19-13)21-8-7-16-10-21/h7-8,10-11H,4-6,9H2,1-3H3,(H2,15,17,18,19)
InChIKeyNGDLMKPEDAXANM-UHFFFAOYSA-N
XLogP1.90
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773693
6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80764046
2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-propylamino]ethanol
CID 80796446
6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80820982
2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol
CID 80810035
4-butan-2-ylsulfanyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80887918
4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80815490
6-imidazol-1-yl-4-N-methyl-4-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80849549
2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80795295
6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80798257
3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80856191
6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80779197

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80779658) is 4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is CCC(CC)CN(CC)c1nc(N)nc(-n2ccnc2)n1.
What is the InChIKey of 4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is NGDLMKPEDAXANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-4-11(5-2)9-20(6-3)13-17-12(15)18-14(19-13)21-8-7-16-10-21/h7-8,10-11H,4-6,9H2,1-3H3,(H2,15,17,18,19).
What are the key properties of 4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 289.39 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80779658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).