2-butoxy-4,6-bis[3-(1,2-dihydroimidazol-3-yl)propoxy]-1,3,5-triazine

C19H31N7O3 — CID 174341845

IUPAC2-butoxy-4,6-bis[3-(1,2-dihydroimidazol-3-yl)propoxy]-1,3,5-triazine
SMILESCCCCOc1nc(OCCCN2C=CNC2)nc(OCCCN2C=CNC2)n1
InChIInChI=1S/C19H31N7O3/c1-2-3-12-27-17-22-18(28-13-4-8-25-10-6-20-15-25)24-19(23-17)29-14-5-9-26-11-7-21-16-26/h6-7,10-11,20-21H,2-5,8-9,12-16H2,1H3
InChIKeyXHPCLHPHRTUEHU-UHFFFAOYSA-N
MW405.50 g/mol
LogP1.26
Rot. Bonds14

About 2-butoxy-4,6-bis[3-(1,2-dihydroimidazol-3-yl)propoxy]-1,3,5-triazine

2-butoxy-4,6-bis[3-(1,2-dihydroimidazol-3-yl)propoxy]-1,3,5-triazine (PubChem CID 174341845) has the molecular formula C19H31N7O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-butoxy-4,6-bis[3-(1,2-dihydroimidazol-3-yl)propoxy]-1,3,5-triazine.

Molecular Properties

Compound Name2-butoxy-4,6-bis[3-(1,2-dihydroimidazol-3-yl)propoxy]-1,3,5-triazine
PubChem CID174341845
Molecular FormulaC19H31N7O3
Molecular Weight405.50 g/mol
Exact Mass405.25
IUPAC Name2-butoxy-4,6-bis[3-(1,2-dihydroimidazol-3-yl)propoxy]-1,3,5-triazine
SMILESCCCCOc1nc(OCCCN2C=CNC2)nc(OCCCN2C=CNC2)n1
InChIInChI=1S/C19H31N7O3/c1-2-3-12-27-17-22-18(28-13-4-8-25-10-6-20-15-25)24-19(23-17)29-14-5-9-26-11-7-21-16-26/h6-7,10-11,20-21H,2-5,8-9,12-16H2,1H3
InChIKeyXHPCLHPHRTUEHU-UHFFFAOYSA-N
XLogP1.26
TPSA96.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

bis(3-butyl-1,2-dihydroimidazole);dihydrochloride
CID 175338253
3-propyl-1,2-dihydroimidazole
CID 66765033
3-[[4-butoxy-6-(3-sulfonatopropoxy)-1,3,5-triazin-2-yl]oxy]propane-1-sulfonate
CID 20821804
2-chloro-4,6-dioctadecoxy-1,3,5-triazine
CID 14236381
2-butoxy-4,6-dichloro-5-methylpyrimidine
CID 118940482
2,4,6-tris(3-icosylsulfanylpropoxy)-1,3,5-triazine
CID 139944398
2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]oxy]-N,N-diethylethanamine
CID 10862842
2-butoxy-7H-purin-9-ium-6-amine
CID 123806555
2-butoxy-4-(3-iodobutoxy)-6-(4-methylpentoxy)-1,3,5-triazine
CID 156523376
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
2-chloro-4-ethoxy-6-hexoxy-1,3,5-triazine
CID 62857023
1,3-dibutyl-2H-imidazole;hydrobromide
CID 170561230

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-4,6-bis[3-(1,2-dihydroimidazol-3-yl)propoxy]-1,3,5-triazine?
The IUPAC name of 2-butoxy-4,6-bis[3-(1,2-dihydroimidazol-3-yl)propoxy]-1,3,5-triazine (CID 174341845) is 2-butoxy-4,6-bis[3-(1,2-dihydroimidazol-3-yl)propoxy]-1,3,5-triazine.
What is the SMILES notation for 2-butoxy-4,6-bis[3-(1,2-dihydroimidazol-3-yl)propoxy]-1,3,5-triazine?
The canonical SMILES for 2-butoxy-4,6-bis[3-(1,2-dihydroimidazol-3-yl)propoxy]-1,3,5-triazine is CCCCOc1nc(OCCCN2C=CNC2)nc(OCCCN2C=CNC2)n1.
What is the InChIKey of 2-butoxy-4,6-bis[3-(1,2-dihydroimidazol-3-yl)propoxy]-1,3,5-triazine?
The InChIKey is XHPCLHPHRTUEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7O3/c1-2-3-12-27-17-22-18(28-13-4-8-25-10-6-20-15-25)24-19(23-17)29-14-5-9-26-11-7-21-16-26/h6-7,10-11,20-21H,2-5,8-9,12-16H2,1H3.
What are the key properties of 2-butoxy-4,6-bis[3-(1,2-dihydroimidazol-3-yl)propoxy]-1,3,5-triazine?
2-butoxy-4,6-bis[3-(1,2-dihydroimidazol-3-yl)propoxy]-1,3,5-triazine has a molecular weight of 405.50 g/mol, XLogP of 1.26, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-4,6-bis[3-(1,2-dihydroimidazol-3-yl)propoxy]-1,3,5-triazine is sourced from PubChem (CID 174341845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).