N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C14H26N6O3 — CID 23758539

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCOCCOCCN)nc(N2CCCC2)n1
InChIInChI=1S/C14H26N6O3/c1-21-14-18-12(16-5-9-23-11-10-22-8-4-15)17-13(19-14)20-6-2-3-7-20/h2-11,15H2,1H3,(H,16,17,18,19)
InChIKeyRKXMKPSGCQZCLD-UHFFFAOYSA-N
MW326.40 g/mol
LogP-0.12
Rot. Bonds11

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 23758539) has the molecular formula C14H26N6O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID23758539
Molecular FormulaC14H26N6O3
Molecular Weight326.40 g/mol
Exact Mass326.21
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCOCCOCCN)nc(N2CCCC2)n1
InChIInChI=1S/C14H26N6O3/c1-21-14-18-12(16-5-9-23-11-10-22-8-4-15)17-13(19-14)20-6-2-3-7-20/h2-11,15H2,1H3,(H,16,17,18,19)
InChIKeyRKXMKPSGCQZCLD-UHFFFAOYSA-N
XLogP-0.12
TPSA107.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
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 N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 23758539) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is COc1nc(NCCOCCOCCN)nc(N2CCCC2)n1.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is RKXMKPSGCQZCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O3/c1-21-14-18-12(16-5-9-23-11-10-22-8-4-15)17-13(19-14)20-6-2-3-7-20/h2-11,15H2,1H3,(H,16,17,18,19).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 326.40 g/mol, XLogP of -0.12, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 23758539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).