2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine

C13H22N8 — CID 80757025

IUPAC2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NCCCn2ccnc2)n1
InChIInChI=1S/C13H22N8/c1-3-21(4-2)13-18-11(14)17-12(19-13)16-6-5-8-20-9-7-15-10-20/h7,9-10H,3-6,8H2,1-2H3,(H3,14,16,17,18,19)
InChIKeyOPHKRXHOFVTTJL-UHFFFAOYSA-N
MW290.38 g/mol
LogP1.00
Rot. Bonds8

About 2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80757025) has the molecular formula C13H22N8 and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80757025
Molecular FormulaC13H22N8
Molecular Weight290.38 g/mol
Exact Mass290.20
IUPAC Name2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NCCCn2ccnc2)n1
InChIInChI=1S/C13H22N8/c1-3-21(4-2)13-18-11(14)17-12(19-13)16-6-5-8-20-9-7-15-10-20/h7,9-10H,3-6,8H2,1-2H3,(H3,14,16,17,18,19)
InChIKeyOPHKRXHOFVTTJL-UHFFFAOYSA-N
XLogP1.00
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267
4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80778165
5-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pentanamide
CID 106241608
4-N-[2-(dimethylamino)ethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80769996
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80788682
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine
CID 55124703
2-N,2-N-diethyl-4-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80804048
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
4-chloro-N-(3-imidazol-1-ylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869150
5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 135106368
2-N-(2-imidazol-1-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80780690

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine (CID 80757025) is 2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(NCCCn2ccnc2)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is OPHKRXHOFVTTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N8/c1-3-21(4-2)13-18-11(14)17-12(19-13)16-6-5-8-20-9-7-15-10-20/h7,9-10H,3-6,8H2,1-2H3,(H3,14,16,17,18,19).
What are the key properties of 2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 290.38 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80757025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).