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

C21H41N7O2 — CID 23873058

IUPAC2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N,4-N-dibutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(CCCC)c1nc(NCCOCCOCCN)nc(N2CCCC2)n1
InChIInChI=1S/C21H41N7O2/c1-3-5-11-27(12-6-4-2)20-24-19(23-10-16-30-18-17-29-15-9-22)25-21(26-20)28-13-7-8-14-28/h3-18,22H2,1-2H3,(H,23,24,25,26)
InChIKeyFXHYPHDNMAXXSY-UHFFFAOYSA-N
MW423.61 g/mol
LogP2.28
Rot. Bonds17

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

2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N,4-N-dibutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 23873058) has the molecular formula C21H41N7O2 and a molecular weight of 423.61 g/mol. Its IUPAC name is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N,4-N-dibutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N,4-N-dibutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID23873058
Molecular FormulaC21H41N7O2
Molecular Weight423.61 g/mol
Exact Mass423.33
IUPAC Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N,4-N-dibutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(CCCC)c1nc(NCCOCCOCCN)nc(N2CCCC2)n1
InChIInChI=1S/C21H41N7O2/c1-3-5-11-27(12-6-4-2)20-24-19(23-10-16-30-18-17-29-15-9-22)25-21(26-20)28-13-7-8-14-28/h3-18,22H2,1-2H3,(H,23,24,25,26)
InChIKeyFXHYPHDNMAXXSY-UHFFFAOYSA-N
XLogP2.28
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80818936
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
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 23929046
2-N,4-N,6-N-tris(2-propoxyethyl)-1,3,5-triazine-2,4,6-triamine
CID 58097420
2-N,4-N,6-N-tris[3-[2-[2-[2-(dibutylamino)ethoxy]ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine
CID 58841537
2-N,2-N,4-N,4-N-tetrakis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 58868228
4-N,6-N-dibutyl-2-N-(2-ethoxyethyl)-1,3,5-triazine-2,4,6-triamine
CID 59235529
6-morpholin-4-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80803185
(4,6-Dimethoxy-1,3,5-triazin-2-yl)-methyl-(2-propoxyethyl)azanium
CID 142357381
4-chloro-N-hexadecyl-6-(1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)-1,3,5-triazin-2-amine
CID 144387717
N-butyl-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 351359

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N,4-N-dibutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N,4-N-dibutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 23873058) is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N,4-N-dibutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N,4-N-dibutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N,4-N-dibutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCCCN(CCCC)c1nc(NCCOCCOCCN)nc(N2CCCC2)n1.
What is the InChIKey of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N,4-N-dibutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is FXHYPHDNMAXXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N7O2/c1-3-5-11-27(12-6-4-2)20-24-19(23-10-16-30-18-17-29-15-9-22)25-21(26-20)28-13-7-8-14-28/h3-18,22H2,1-2H3,(H,23,24,25,26).
What are the key properties of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N,4-N-dibutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N,4-N-dibutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 423.61 g/mol, XLogP of 2.28, 17 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N,4-N-dibutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23873058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).