4-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine

C13H16N8 — CID 10660711

IUPAC4-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCc1ncn(-c2nc(N(C)C)nc(-n3ccnc3)n2)c1C
InChIInChI=1S/C13H16N8/c1-9-10(2)21(8-15-9)13-17-11(19(3)4)16-12(18-13)20-6-5-14-7-20/h5-8H,1-4H3
InChIKeyMHNWUVHQWZYSRL-UHFFFAOYSA-N
MW284.33 g/mol
LogP0.93
Rot. Bonds3

About 4-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine

4-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 10660711) has the molecular formula C13H16N8 and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID10660711
Molecular FormulaC13H16N8
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCc1ncn(-c2nc(N(C)C)nc(-n3ccnc3)n2)c1C
InChIInChI=1S/C13H16N8/c1-9-10(2)21(8-15-9)13-17-11(19(3)4)16-12(18-13)20-6-5-14-7-20/h5-8H,1-4H3
InChIKeyMHNWUVHQWZYSRL-UHFFFAOYSA-N
XLogP0.93
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

3-Methyl-2-(1-methylimidazol-2-yl)imidazole-4-carbonitrile
CID 44339833
3,6-Bis(4-methylimidazol-1-yl)-1,2,4,5-tetrazine
CID 86101896
7-[(5-chloro-1-methylimidazol-2-yl)methyl]-2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 53538884
1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1'-methyl-1H,1'H-2,2'-biimidazole
CID 70749427
6-(2-(2-Ethyl-4-methyl-1H-imidazol-1-yl)ethyl)-1,3,5-triazine-2,4-diamine
CID 6452249
1,3-Bis[(4-methyl-5-imidazol-1-yl)ethylideneamino]propane
CID 129731389
1-(1h-Imidazol-1-yl)-1-(4-methyl-1h-imidazol-1-yl)methanimine
CID 145997415
1,1-Bis(4-methyl-1h-imidazol-1-yl)methanimine
CID 145997430
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-4,5-dimethylimidazole
CID 56789700
6-[2-(2-Ethyl-5-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 13587891
Carbanide;1-[(5-methanidyl-2-methylimidazol-1-yl)methyl]-4-methylpiperazine;vanadium(2+)
CID 18685220
4-(4,5-dimethyl-1H-imidazol-2-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 18989391

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine (CID 10660711) is 4-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine is Cc1ncn(-c2nc(N(C)C)nc(-n3ccnc3)n2)c1C.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is MHNWUVHQWZYSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8/c1-9-10(2)21(8-15-9)13-17-11(19(3)4)16-12(18-13)20-6-5-14-7-20/h5-8H,1-4H3.
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine?
4-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 284.33 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 10660711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).