6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C12H13N7 — CID 80853978

IUPAC6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(-n2cnc3ccccc32)n1
InChIInChI=1S/C12H13N7/c1-18(2)11-15-10(13)16-12(17-11)19-7-14-8-5-3-4-6-9(8)19/h3-7H,1-2H3,(H2,13,15,16,17)
InChIKeyWFEQXJRNAFRWPT-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.86
Rot. Bonds2

About 6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80853978) has the molecular formula C12H13N7 and a molecular weight of 255.29 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80853978
Molecular FormulaC12H13N7
Molecular Weight255.29 g/mol
Exact Mass255.12
IUPAC Name6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(-n2cnc3ccccc32)n1
InChIInChI=1S/C12H13N7/c1-18(2)11-15-10(13)16-12(17-11)19-7-14-8-5-3-4-6-9(8)19/h3-7H,1-2H3,(H2,13,15,16,17)
InChIKeyWFEQXJRNAFRWPT-UHFFFAOYSA-N
XLogP0.86
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 80853978) is 6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(-n2cnc3ccccc32)n1.
What is the InChIKey of 6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WFEQXJRNAFRWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c1-18(2)11-15-10(13)16-12(17-11)19-7-14-8-5-3-4-6-9(8)19/h3-7H,1-2H3,(H2,13,15,16,17).
What are the key properties of 6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 255.29 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80853978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).