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

C20H35N7 — CID 70808083

IUPAC6-[2-(4-methyl-2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCc1nc(C)cn1CCc1nc(N)nc(N)n1
InChIInChI=1S/C20H35N7/c1-3-4-5-6-7-8-9-10-11-12-18-23-16(2)15-27(18)14-13-17-24-19(21)26-20(22)25-17/h15H,3-14H2,1-2H3,(H4,21,22,24,25,26)
InChIKeyOUNNMJSHTFBPJV-UHFFFAOYSA-N
MW373.55 g/mol
LogP3.86
Rot. Bonds13

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

6-[2-(4-methyl-2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 70808083) has the molecular formula C20H35N7 and a molecular weight of 373.55 g/mol. Its IUPAC name is 6-[2-(4-methyl-2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(4-methyl-2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID70808083
Molecular FormulaC20H35N7
Molecular Weight373.55 g/mol
Exact Mass373.30
IUPAC Name6-[2-(4-methyl-2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCc1nc(C)cn1CCc1nc(N)nc(N)n1
InChIInChI=1S/C20H35N7/c1-3-4-5-6-7-8-9-10-11-12-18-23-16(2)15-27(18)14-13-17-24-19(21)26-20(22)25-17/h15H,3-14H2,1-2H3,(H4,21,22,24,25,26)
InChIKeyOUNNMJSHTFBPJV-UHFFFAOYSA-N
XLogP3.86
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methyl-2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-(4-methyl-2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 70808083) is 6-[2-(4-methyl-2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-(4-methyl-2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-(4-methyl-2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine is CCCCCCCCCCCc1nc(C)cn1CCc1nc(N)nc(N)n1.
What is the InChIKey of 6-[2-(4-methyl-2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is OUNNMJSHTFBPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N7/c1-3-4-5-6-7-8-9-10-11-12-18-23-16(2)15-27(18)14-13-17-24-19(21)26-20(22)25-17/h15H,3-14H2,1-2H3,(H4,21,22,24,25,26).
What are the key properties of 6-[2-(4-methyl-2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-[2-(4-methyl-2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 373.55 g/mol, XLogP of 3.86, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methyl-2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 70808083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).