4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-chloro-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine

C14H25ClN6O3 — CID 23984708

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-chloro-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNCCOCCOCCNc1nc(Cl)nc(NCC2CCCO2)n1
InChIInChI=1S/C14H25ClN6O3/c15-12-19-13(17-4-7-23-9-8-22-6-3-16)21-14(20-12)18-10-11-2-1-5-24-11/h11H,1-10,16H2,(H2,17,18,19,20,21)
InChIKeyOXNXERBNEIZTTP-UHFFFAOYSA-N
MW360.85 g/mol
LogP0.52
Rot. Bonds12

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-chloro-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-chloro-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 23984708) has the molecular formula C14H25ClN6O3 and a molecular weight of 360.85 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-chloro-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-chloro-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID23984708
Molecular FormulaC14H25ClN6O3
Molecular Weight360.85 g/mol
Exact Mass360.17
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-chloro-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNCCOCCOCCNc1nc(Cl)nc(NCC2CCCO2)n1
InChIInChI=1S/C14H25ClN6O3/c15-12-19-13(17-4-7-23-9-8-22-6-3-16)21-14(20-12)18-10-11-2-1-5-24-11/h11H,1-10,16H2,(H2,17,18,19,20,21)
InChIKeyOXNXERBNEIZTTP-UHFFFAOYSA-N
XLogP0.52
TPSA116.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 50.52
H-Bond Donors ≤ 53
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 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-chloro-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-chloro-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 23984708) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-chloro-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-chloro-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-chloro-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is NCCOCCOCCNc1nc(Cl)nc(NCC2CCCO2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-chloro-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OXNXERBNEIZTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN6O3/c15-12-19-13(17-4-7-23-9-8-22-6-3-16)21-14(20-12)18-10-11-2-1-5-24-11/h11H,1-10,16H2,(H2,17,18,19,20,21).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-chloro-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-chloro-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 360.85 g/mol, XLogP of 0.52, 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]-6-chloro-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23984708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).