4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C17H31N7O2 — CID 23758426

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNCCOCCOCCNc1nc(NC2CCC2)nc(N2CCCC2)n1
InChIInChI=1S/C17H31N7O2/c18-6-10-25-12-13-26-11-7-19-15-21-16(20-14-4-3-5-14)23-17(22-15)24-8-1-2-9-24/h14H,1-13,18H2,(H2,19,20,21,22,23)
InChIKeySNNXGTJUSTUJPU-UHFFFAOYSA-N
MW365.48 g/mol
LogP0.84
Rot. Bonds12

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 23758426) has the molecular formula C17H31N7O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID23758426
Molecular FormulaC17H31N7O2
Molecular Weight365.48 g/mol
Exact Mass365.25
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNCCOCCOCCNc1nc(NC2CCC2)nc(N2CCCC2)n1
InChIInChI=1S/C17H31N7O2/c18-6-10-25-12-13-26-11-7-19-15-21-16(20-14-4-3-5-14)23-17(22-15)24-8-1-2-9-24/h14H,1-13,18H2,(H2,19,20,21,22,23)
InChIKeySNNXGTJUSTUJPU-UHFFFAOYSA-N
XLogP0.84
TPSA110.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 23758426) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is NCCOCCOCCNc1nc(NC2CCC2)nc(N2CCCC2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is SNNXGTJUSTUJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N7O2/c18-6-10-25-12-13-26-11-7-19-15-21-16(20-14-4-3-5-14)23-17(22-15)24-8-1-2-9-24/h14H,1-13,18H2,(H2,19,20,21,22,23).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 365.48 g/mol, XLogP of 0.84, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23758426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).