N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,3,5-triazin-2-amine

C13H14N4O2 — CID 91787068

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,3,5-triazin-2-amine
SMILESc1ccc2c(c1)OCC(CCNc1ncncn1)O2
InChIInChI=1S/C13H14N4O2/c1-2-4-12-11(3-1)18-7-10(19-12)5-6-15-13-16-8-14-9-17-13/h1-4,8-10H,5-7H2,(H,14,15,16,17)
InChIKeyWUNKKTXOXROPTB-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.51
Rot. Bonds4

About N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,3,5-triazin-2-amine

N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 91787068) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,3,5-triazin-2-amine
PubChem CID91787068
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,3,5-triazin-2-amine
SMILESc1ccc2c(c1)OCC(CCNc1ncncn1)O2
InChIInChI=1S/C13H14N4O2/c1-2-4-12-11(3-1)18-7-10(19-12)5-6-15-13-16-8-14-9-17-13/h1-4,8-10H,5-7H2,(H,14,15,16,17)
InChIKeyWUNKKTXOXROPTB-UHFFFAOYSA-N
XLogP1.51
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 97434392
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-pyrimidin-2-ylethane-1,2-diamine
CID 10731942
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrimidin-2-amine
CID 3403878
4-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 72938000
5-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,2,4-triazin-3-amine
CID 45210457
(3R)-3-(2-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 92980685
5-(3-chlorophenyl)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-1,2,4-triazin-3-amine
CID 42297772
5-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyrimidin-2-amine
CID 124755755
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(methylsulfamoyl)ethanamine
CID 70950703
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-N'-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxamide
CID 7241999
3-(4-bromobutyl)-2,3-dihydro-1,4-benzodioxine
CID 70485741
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]ethanamine
CID 67846112

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,3,5-triazin-2-amine (CID 91787068) is N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,3,5-triazin-2-amine is c1ccc2c(c1)OCC(CCNc1ncncn1)O2.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is WUNKKTXOXROPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-2-4-12-11(3-1)18-7-10(19-12)5-6-15-13-16-8-14-9-17-13/h1-4,8-10H,5-7H2,(H,14,15,16,17).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,3,5-triazin-2-amine?
N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 258.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 91787068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).