6-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine

C13H19N7 — CID 141264101

IUPAC6-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc2c(n1CCc1nc(N)nc(N)n1)CCCC2
InChIInChI=1S/C13H19N7/c1-8-16-9-4-2-3-5-10(9)20(8)7-6-11-17-12(14)19-13(15)18-11/h2-7H2,1H3,(H4,14,15,17,18,19)
InChIKeyLGSYUOMNMXMDOY-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.66
Rot. Bonds3

About 6-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine

6-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 141264101) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID141264101
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name6-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc2c(n1CCc1nc(N)nc(N)n1)CCCC2
InChIInChI=1S/C13H19N7/c1-8-16-9-4-2-3-5-10(9)20(8)7-6-11-17-12(14)19-13(15)18-11/h2-7H2,1H3,(H4,14,15,17,18,19)
InChIKeyLGSYUOMNMXMDOY-UHFFFAOYSA-N
XLogP0.66
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3-thiazole
CID 115773628
1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 103857979
1-but-2-ynyl-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 115773580
2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydrobenzimidazole
CID 115773626
2-amino-2-ethyl-5-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol
CID 106810123
2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole
CID 166685535
1-[(3,5-dimethylphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626608
2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
CID 113343350
N,N-dimethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 116626532
1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626591
2,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]imidazole
CID 59430883
1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626601

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 141264101) is 6-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine is Cc1nc2c(n1CCc1nc(N)nc(N)n1)CCCC2.
What is the InChIKey of 6-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is LGSYUOMNMXMDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-8-16-9-4-2-3-5-10(9)20(8)7-6-11-17-12(14)19-13(15)18-11/h2-7H2,1H3,(H4,14,15,17,18,19).
What are the key properties of 6-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 141264101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).