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

C19H33N7 — CID 175349543

IUPAC6-(4-ethyl-2-undecylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCc1nc(CC)cn1-c1nc(N)nc(N)n1
InChIInChI=1S/C19H33N7/c1-3-5-6-7-8-9-10-11-12-13-16-22-15(4-2)14-26(16)19-24-17(20)23-18(21)25-19/h14H,3-13H2,1-2H3,(H4,20,21,23,24,25)
InChIKeyWLKQPNXQULGMAO-UHFFFAOYSA-N
MW359.52 g/mol
LogP3.86
Rot. Bonds12

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

6-(4-ethyl-2-undecylimidazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 175349543) has the molecular formula C19H33N7 and a molecular weight of 359.52 g/mol. Its IUPAC name is 6-(4-ethyl-2-undecylimidazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-ethyl-2-undecylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID175349543
Molecular FormulaC19H33N7
Molecular Weight359.52 g/mol
Exact Mass359.28
IUPAC Name6-(4-ethyl-2-undecylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCc1nc(CC)cn1-c1nc(N)nc(N)n1
InChIInChI=1S/C19H33N7/c1-3-5-6-7-8-9-10-11-12-13-16-22-15(4-2)14-26(16)19-24-17(20)23-18(21)25-19/h14H,3-13H2,1-2H3,(H4,20,21,23,24,25)
InChIKeyWLKQPNXQULGMAO-UHFFFAOYSA-N
XLogP3.86
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
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-(4-ethyl-2-undecylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-ethyl-2-undecylimidazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 175349543) is 6-(4-ethyl-2-undecylimidazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-ethyl-2-undecylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-ethyl-2-undecylimidazol-1-yl)-1,3,5-triazine-2,4-diamine is CCCCCCCCCCCc1nc(CC)cn1-c1nc(N)nc(N)n1.
What is the InChIKey of 6-(4-ethyl-2-undecylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WLKQPNXQULGMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N7/c1-3-5-6-7-8-9-10-11-12-13-16-22-15(4-2)14-26(16)19-24-17(20)23-18(21)25-19/h14H,3-13H2,1-2H3,(H4,20,21,23,24,25).
What are the key properties of 6-(4-ethyl-2-undecylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
6-(4-ethyl-2-undecylimidazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 359.52 g/mol, XLogP of 3.86, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-2-undecylimidazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175349543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).