2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine

C13H26N6O — CID 80778025

IUPAC2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NCCCN(CC)CC)n1
InChIInChI=1S/C13H26N6O/c1-4-10-20-13-17-11(14)16-12(18-13)15-8-7-9-19(5-2)6-3/h4-10H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyAAEBFJLMGJVLKP-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.39
Rot. Bonds10

About 2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80778025) has the molecular formula C13H26N6O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80778025
Molecular FormulaC13H26N6O
Molecular Weight282.39 g/mol
Exact Mass282.22
IUPAC Name2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NCCCN(CC)CC)n1
InChIInChI=1S/C13H26N6O/c1-4-10-20-13-17-11(14)16-12(18-13)15-8-7-9-19(5-2)6-3/h4-10H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyAAEBFJLMGJVLKP-UHFFFAOYSA-N
XLogP1.39
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-propoxy-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80828179
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772035
3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198615
2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80804374
2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80833385
2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771068
4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
CID 80932221
2-N-[3-(diethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261118
2-[2-[2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazine
CID 70799014
2-N-[(4-methylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827677
6-[2-(diethylamino)ethoxy]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80879311
2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80792133

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80778025) is 2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(NCCCN(CC)CC)n1.
What is the InChIKey of 2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is AAEBFJLMGJVLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O/c1-4-10-20-13-17-11(14)16-12(18-13)15-8-7-9-19(5-2)6-3/h4-10H2,1-3H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 282.39 g/mol, XLogP of 1.39, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80778025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).