4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine

C21H34N8O2 — CID 23845134

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESNCCOCCOCCNc1nc(NCCc2ccccn2)nc(NC2CCCC2)n1
InChIInChI=1S/C21H34N8O2/c22-9-13-30-15-16-31-14-12-25-20-27-19(24-11-8-17-5-3-4-10-23-17)28-21(29-20)26-18-6-1-2-7-18/h3-5,10,18H,1-2,6-9,11-16,22H2,(H3,24,25,26,27,28,29)
InChIKeyRUKATBNDXZAUKG-UHFFFAOYSA-N
MW430.56 g/mol
LogP1.68
Rot. Bonds15

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 23845134) has the molecular formula C21H34N8O2 and a molecular weight of 430.56 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID23845134
Molecular FormulaC21H34N8O2
Molecular Weight430.56 g/mol
Exact Mass430.28
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESNCCOCCOCCNc1nc(NCCc2ccccn2)nc(NC2CCCC2)n1
InChIInChI=1S/C21H34N8O2/c22-9-13-30-15-16-31-14-12-25-20-27-19(24-11-8-17-5-3-4-10-23-17)28-21(29-20)26-18-6-1-2-7-18/h3-5,10,18H,1-2,6-9,11-16,22H2,(H3,24,25,26,27,28,29)
InChIKeyRUKATBNDXZAUKG-UHFFFAOYSA-N
XLogP1.68
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-6-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 23984709
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 23758435
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 23787672
2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 23816247
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 23872955
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(4-chlorophenyl)methyl]-2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine
CID 23816348
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[[4-(cyclopentylamino)-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]benzamide
CID 23900838
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-phenoxy-1,3,5-triazine-2,4-diamine
CID 23901103
N-[2-[2-[2-[[4,6-bis(cyclopentylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23787516
2-N-cyclohexyl-4-N-(2-pyridin-2-ylethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1,3,5-triazine-2,4-diamine
CID 56599681
3-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 23758189
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[[4-(2-phenylethylamino)-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide
CID 23787281

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine (CID 23845134) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine is NCCOCCOCCNc1nc(NCCc2ccccn2)nc(NC2CCCC2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RUKATBNDXZAUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N8O2/c22-9-13-30-15-16-31-14-12-25-20-27-19(24-11-8-17-5-3-4-10-23-17)28-21(29-20)26-18-6-1-2-7-18/h3-5,10,18H,1-2,6-9,11-16,22H2,(H3,24,25,26,27,28,29).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 430.56 g/mol, XLogP of 1.68, 15 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23845134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).