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

C13H23N3O2 — CID 140898891

IUPAC2,4-dimethoxy-6-octyl-1,3,5-triazine
SMILESCCCCCCCCc1nc(OC)nc(OC)n1
InChIInChI=1S/C13H23N3O2/c1-4-5-6-7-8-9-10-11-14-12(17-2)16-13(15-11)18-3/h4-10H2,1-3H3
InChIKeyAFNIWWLYCHLGID-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.79
Rot. Bonds9

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

2,4-dimethoxy-6-octyl-1,3,5-triazine (PubChem CID 140898891) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2,4-dimethoxy-6-octyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-octyl-1,3,5-triazine
PubChem CID140898891
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2,4-dimethoxy-6-octyl-1,3,5-triazine
SMILESCCCCCCCCc1nc(OC)nc(OC)n1
InChIInChI=1S/C13H23N3O2/c1-4-5-6-7-8-9-10-11-14-12(17-2)16-13(15-11)18-3/h4-10H2,1-3H3
InChIKeyAFNIWWLYCHLGID-UHFFFAOYSA-N
XLogP2.79
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.79
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

2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
2,4-didecyl-6-ethyl-1,3,5-triazine
CID 123764095
2-methyl-4,6-di(octacosyl)-1,3,5-triazine
CID 66935655
2-methyl-4,6-di(undecyl)-1,3,5-triazine
CID 66935894
6-octadecyl-1,3,5-triazine-2,4-diamine
CID 154108733
2,4-dimethyl-6-pentyl-1,3,5-triazine
CID 15211759
2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine
CID 62857809
2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine
CID 69095431
3-hexadecyl-5,6-dimethyl-1,2,4-triazine
CID 134998766
2-butyl-4,6-dihexylpyrimidine
CID 91010912
2-butyl-4,6-didodecylpyrimidine
CID 91545608
magnesium;1-bromooctane;2,4-dichloro-6-octyl-1,3,5-triazine;2,4-dimethoxy-6-octyl-1,3,5-triazine;hydride;6-octyl-1H-1,3,5-triazine-2,4-dione;tribromoborane;2,4,6-trichloro-1,3,5-triazine
CID 160582777

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-octyl-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-octyl-1,3,5-triazine (CID 140898891) is 2,4-dimethoxy-6-octyl-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-octyl-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-octyl-1,3,5-triazine is CCCCCCCCc1nc(OC)nc(OC)n1.
What is the InChIKey of 2,4-dimethoxy-6-octyl-1,3,5-triazine?
The InChIKey is AFNIWWLYCHLGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-5-6-7-8-9-10-11-14-12(17-2)16-13(15-11)18-3/h4-10H2,1-3H3.
What are the key properties of 2,4-dimethoxy-6-octyl-1,3,5-triazine?
2,4-dimethoxy-6-octyl-1,3,5-triazine has a molecular weight of 253.35 g/mol, XLogP of 2.79, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-octyl-1,3,5-triazine is sourced from PubChem (CID 140898891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).