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

C13H23ClN6O2 — CID 23758424

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESNCCOCCOCCNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C13H23ClN6O2/c14-11-17-12(16-4-8-22-10-9-21-7-3-15)19-13(18-11)20-5-1-2-6-20/h1-10,15H2,(H,16,17,18,19)
InChIKeyIGJAQNYPECTHHZ-UHFFFAOYSA-N
MW330.82 g/mol
LogP0.53
Rot. Bonds10

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

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 23758424) has the molecular formula C13H23ClN6O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID23758424
Molecular FormulaC13H23ClN6O2
Molecular Weight330.82 g/mol
Exact Mass330.16
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESNCCOCCOCCNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C13H23ClN6O2/c14-11-17-12(16-4-8-22-10-9-21-7-3-15)19-13(18-11)20-5-1-2-6-20/h1-10,15H2,(H,16,17,18,19)
InChIKeyIGJAQNYPECTHHZ-UHFFFAOYSA-N
XLogP0.53
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 63833718
6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80818936
4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 105920229
2-N-[2-(2,2-difluoroethoxy)ethyl]-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 105922364
2-N-[2-(2,2-difluoroethoxy)ethyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 105922365
6-chloro-4-N-methyl-2-N-[2-(2-propoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 58479544
6-morpholin-4-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80803185
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 142808201
4-chloro-N-hexadecyl-6-(1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)-1,3,5-triazin-2-amine
CID 144387717
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3,5-triazine-2,4,6-triamine
CID 169082616
N-butyl-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 351359
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 23758426

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 23758424) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is NCCOCCOCCNc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is IGJAQNYPECTHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN6O2/c14-11-17-12(16-4-8-22-10-9-21-7-3-15)19-13(18-11)20-5-1-2-6-20/h1-10,15H2,(H,16,17,18,19).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 330.82 g/mol, XLogP of 0.53, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 23758424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).