2-methyl-4,6-di(undecyl)-1,3,5-triazine

C26H49N3 — CID 66935894

IUPAC2-methyl-4,6-di(undecyl)-1,3,5-triazine
SMILESCCCCCCCCCCCc1nc(C)nc(CCCCCCCCCCC)n1
InChIInChI=1S/C26H49N3/c1-4-6-8-10-12-14-16-18-20-22-25-27-24(3)28-26(29-25)23-21-19-17-15-13-11-9-7-5-2/h4-23H2,1-3H3
InChIKeyZFDCSAMVVXZDEF-UHFFFAOYSA-N
MW403.70 g/mol
LogP8.33
Rot. Bonds20

About 2-methyl-4,6-di(undecyl)-1,3,5-triazine

2-methyl-4,6-di(undecyl)-1,3,5-triazine (PubChem CID 66935894) has the molecular formula C26H49N3 and a molecular weight of 403.70 g/mol. Its IUPAC name is 2-methyl-4,6-di(undecyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4,6-di(undecyl)-1,3,5-triazine
PubChem CID66935894
Molecular FormulaC26H49N3
Molecular Weight403.70 g/mol
Exact Mass403.39
IUPAC Name2-methyl-4,6-di(undecyl)-1,3,5-triazine
SMILESCCCCCCCCCCCc1nc(C)nc(CCCCCCCCCCC)n1
InChIInChI=1S/C26H49N3/c1-4-6-8-10-12-14-16-18-20-22-25-27-24(3)28-26(29-25)23-21-19-17-15-13-11-9-7-5-2/h4-23H2,1-3H3
InChIKeyZFDCSAMVVXZDEF-UHFFFAOYSA-N
XLogP8.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.70
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4,6-di(octacosyl)-1,3,5-triazine
CID 66935655
2,4-dimethyl-6-pentyl-1,3,5-triazine
CID 15211759
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
2,4-didecyl-6-ethyl-1,3,5-triazine
CID 123764095
2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine
CID 69095431
2-butyl-4-methyl-6-pentyl-1,3,5-triazine;4-ethyl-5,6-dimethyl-2-propylpyrimidine
CID 157427789
2,4-dioctadecyl-1,3,5-triazine
CID 91537200
6-octadecyl-1,3,5-triazine-2,4-diamine
CID 154108733
2,4-dibutyl-6-propyl-1,3,5-triazine
CID 59908452
2-methyl-4,6-dioctylpyrimidine
CID 66935791
4,6-didodecyl-2-methylpyrimidine
CID 66935955
2-methyl-4,5,6-tripentylpyrimidine
CID 66935521

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-di(undecyl)-1,3,5-triazine?
The IUPAC name of 2-methyl-4,6-di(undecyl)-1,3,5-triazine (CID 66935894) is 2-methyl-4,6-di(undecyl)-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4,6-di(undecyl)-1,3,5-triazine?
The canonical SMILES for 2-methyl-4,6-di(undecyl)-1,3,5-triazine is CCCCCCCCCCCc1nc(C)nc(CCCCCCCCCCC)n1.
What is the InChIKey of 2-methyl-4,6-di(undecyl)-1,3,5-triazine?
The InChIKey is ZFDCSAMVVXZDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49N3/c1-4-6-8-10-12-14-16-18-20-22-25-27-24(3)28-26(29-25)23-21-19-17-15-13-11-9-7-5-2/h4-23H2,1-3H3.
What are the key properties of 2-methyl-4,6-di(undecyl)-1,3,5-triazine?
2-methyl-4,6-di(undecyl)-1,3,5-triazine has a molecular weight of 403.70 g/mol, XLogP of 8.33, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-di(undecyl)-1,3,5-triazine is sourced from PubChem (CID 66935894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).