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

C17H31N7O2 — CID 23872956

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNCCOCCOCCNc1nc(NC2CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H31N7O2/c18-6-10-25-12-13-26-11-7-19-15-21-16(20-14-4-5-14)23-17(22-15)24-8-2-1-3-9-24/h14H,1-13,18H2,(H2,19,20,21,22,23)
InChIKeyWRDVTCYLYFVHON-UHFFFAOYSA-N
MW365.48 g/mol
LogP0.84
Rot. Bonds12

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

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 23872956) 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-cyclopropyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID23872956
Molecular FormulaC17H31N7O2
Molecular Weight365.48 g/mol
Exact Mass365.25
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNCCOCCOCCNc1nc(NC2CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H31N7O2/c18-6-10-25-12-13-26-11-7-19-15-21-16(20-14-4-5-14)23-17(22-15)24-8-2-1-3-9-24/h14H,1-13,18H2,(H2,19,20,21,22,23)
InChIKeyWRDVTCYLYFVHON-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'}

Analyze 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

(4-Chloro-6-morpholin-4-yl-[1,3,5]triazin-2-yl)-cyclopentyl-amine
CID 790425
N-cyclopentyl-6-(morpholin-4-yl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 672863
N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 767098
N-cyclopentyl-4,6-dimorpholino-1,3,5-triazin-2-amine
CID 7589329
N-cyclopropyl-4,6-bis[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine
CID 138022924
1,3,5-Triazine, 2-ethylamino-4-isopropylamino-6-(4-morpholyl)-
CID 622318
N-(tert-butyl)-N'-cyclohexyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 754499
N-hexyl-4-methoxy-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 3117175
N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 3124821
N~2~-hexyl-6-(4-morpholinyl)-N~4~-propyl-1,3,5-triazine-2,4-diamine
CID 5030687
4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 117085708
2-N-cyclopropyl-4-N,4-N-diethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 117087087

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (CID 23872956) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopropyl-6-piperidin-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-cyclopropyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is NCCOCCOCCNc1nc(NC2CC2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is WRDVTCYLYFVHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N7O2/c18-6-10-25-12-13-26-11-7-19-15-21-16(20-14-4-5-14)23-17(22-15)24-8-2-1-3-9-24/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-cyclopropyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopropyl-6-piperidin-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-cyclopropyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23872956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).