4-chloro-6-(2-decyltetradecoxy)-1,3,5-triazin-2-amine

C27H51ClN4O — CID 89193920

IUPAC4-chloro-6-(2-decyltetradecoxy)-1,3,5-triazin-2-amine
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)COc1nc(N)nc(Cl)n1
InChIInChI=1S/C27H51ClN4O/c1-3-5-7-9-11-13-14-16-18-20-22-24(21-19-17-15-12-10-8-6-4-2)23-33-27-31-25(28)30-26(29)32-27/h24H,3-23H2,1-2H3,(H2,29,30,31,32)
InChIKeyOYGIIZISXAQBDS-UHFFFAOYSA-N
MW483.19 g/mol
LogP8.94
Rot. Bonds23

About 4-chloro-6-(2-decyltetradecoxy)-1,3,5-triazin-2-amine

4-chloro-6-(2-decyltetradecoxy)-1,3,5-triazin-2-amine (PubChem CID 89193920) has the molecular formula C27H51ClN4O and a molecular weight of 483.19 g/mol. Its IUPAC name is 4-chloro-6-(2-decyltetradecoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-decyltetradecoxy)-1,3,5-triazin-2-amine
PubChem CID89193920
Molecular FormulaC27H51ClN4O
Molecular Weight483.19 g/mol
Exact Mass482.38
IUPAC Name4-chloro-6-(2-decyltetradecoxy)-1,3,5-triazin-2-amine
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)COc1nc(N)nc(Cl)n1
InChIInChI=1S/C27H51ClN4O/c1-3-5-7-9-11-13-14-16-18-20-22-24(21-19-17-15-12-10-8-6-4-2)23-33-27-31-25(28)30-26(29)32-27/h24H,3-23H2,1-2H3,(H2,29,30,31,32)
InChIKeyOYGIIZISXAQBDS-UHFFFAOYSA-N
XLogP8.94
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.19
LogP ≤ 58.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-chloro-6-(2-decyltetradecoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-decyltetradecoxy)-1,3,5-triazin-2-amine (CID 89193920) is 4-chloro-6-(2-decyltetradecoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-decyltetradecoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-decyltetradecoxy)-1,3,5-triazin-2-amine is CCCCCCCCCCCCC(CCCCCCCCCC)COc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-(2-decyltetradecoxy)-1,3,5-triazin-2-amine?
The InChIKey is OYGIIZISXAQBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51ClN4O/c1-3-5-7-9-11-13-14-16-18-20-22-24(21-19-17-15-12-10-8-6-4-2)23-33-27-31-25(28)30-26(29)32-27/h24H,3-23H2,1-2H3,(H2,29,30,31,32).
What are the key properties of 4-chloro-6-(2-decyltetradecoxy)-1,3,5-triazin-2-amine?
4-chloro-6-(2-decyltetradecoxy)-1,3,5-triazin-2-amine has a molecular weight of 483.19 g/mol, XLogP of 8.94, 23 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-decyltetradecoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 89193920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).