2,4-dimethoxy-6-tetradecyl-1,3,5-triazine

C19H35N3O2 — CID 21024307

IUPAC2,4-dimethoxy-6-tetradecyl-1,3,5-triazine
SMILESCCCCCCCCCCCCCCc1nc(OC)nc(OC)n1
InChIInChI=1S/C19H35N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(23-2)22-19(21-17)24-3/h4-16H2,1-3H3
InChIKeyPBGACBDWLRAPMF-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.13
Rot. Bonds15

About 2,4-dimethoxy-6-tetradecyl-1,3,5-triazine

2,4-dimethoxy-6-tetradecyl-1,3,5-triazine (PubChem CID 21024307) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 2,4-dimethoxy-6-tetradecyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-tetradecyl-1,3,5-triazine
PubChem CID21024307
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name2,4-dimethoxy-6-tetradecyl-1,3,5-triazine
SMILESCCCCCCCCCCCCCCc1nc(OC)nc(OC)n1
InChIInChI=1S/C19H35N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(23-2)22-19(21-17)24-3/h4-16H2,1-3H3
InChIKeyPBGACBDWLRAPMF-UHFFFAOYSA-N
XLogP5.13
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Heptadecyl-1,3,5-triazine-2,4-diamine
CID 17329
2-Hexyl-4,6-dimethyl-1,3,5-triazine
CID 118410366
6-Tridecyl-1,3,5-triazine-2,4-diamine
CID 80216
2,4,6-Trioctyl-1,3,5-triazine
CID 254831
2-Butyl-4,6-dimethoxy-1,3,5-triazine
CID 162413738
6-Pentadecyl-1,3,5-triazine-2,4-diamine
CID 11970482
2,4,6-Tri(nonyl)-1,3,5-triazine
CID 35219
2,4,6-Triheptyl-1,3,5-triazine
CID 254830
2-Hexyl-4,6-dimethoxy-1,3,5-triazine
CID 86053152
2,4-dimethoxy-6-[(2S)-2-methylbutyl]-1,3,5-triazine
CID 102586830
2,4,6-Tripentyl-1,3,5-triazine
CID 254828
2,4,6-Tridodecyl-1,3,5-triazine
CID 4643158

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-tetradecyl-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-tetradecyl-1,3,5-triazine (CID 21024307) is 2,4-dimethoxy-6-tetradecyl-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-tetradecyl-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-tetradecyl-1,3,5-triazine is CCCCCCCCCCCCCCc1nc(OC)nc(OC)n1.
What is the InChIKey of 2,4-dimethoxy-6-tetradecyl-1,3,5-triazine?
The InChIKey is PBGACBDWLRAPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(23-2)22-19(21-17)24-3/h4-16H2,1-3H3.
What are the key properties of 2,4-dimethoxy-6-tetradecyl-1,3,5-triazine?
2,4-dimethoxy-6-tetradecyl-1,3,5-triazine has a molecular weight of 337.51 g/mol, XLogP of 5.13, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-tetradecyl-1,3,5-triazine is sourced from PubChem (CID 21024307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).