4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine

C15H28N4O2 — CID 80842496

IUPAC4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCCCCOc1nc(NCCC)nc(OC(C)C)n1
InChIInChI=1S/C15H28N4O2/c1-5-7-8-9-11-20-14-17-13(16-10-6-2)18-15(19-14)21-12(3)4/h12H,5-11H2,1-4H3,(H,16,17,18,19)
InChIKeyKKUVVJSHNSUTKG-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.44
Rot. Bonds11

About 4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine

4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80842496) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80842496
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCCCCOc1nc(NCCC)nc(OC(C)C)n1
InChIInChI=1S/C15H28N4O2/c1-5-7-8-9-11-20-14-17-13(16-10-6-2)18-15(19-14)21-12(3)4/h12H,5-11H2,1-4H3,(H,16,17,18,19)
InChIKeyKKUVVJSHNSUTKG-UHFFFAOYSA-N
XLogP3.44
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine
CID 63505127
2-N,4-N-diethyl-6-octadecoxy-1,3,5-triazine-2,4-diamine
CID 146196905
2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine
CID 3103369
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80753941
2-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80764899
2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 106411923
2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80765182
6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80865178
2-N-(3,3-dimethylbutan-2-yl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 104830619
2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780133
4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine
CID 80862197
4-but-3-enoxy-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80862211

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine (CID 80842496) is 4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine is CCCCCCOc1nc(NCCC)nc(OC(C)C)n1.
What is the InChIKey of 4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is KKUVVJSHNSUTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-5-7-8-9-11-20-14-17-13(16-10-6-2)18-15(19-14)21-12(3)4/h12H,5-11H2,1-4H3,(H,16,17,18,19).
What are the key properties of 4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 3.44, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80842496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).