2-[[4-(azetidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol

C15H20N6O2 — CID 23648016

IUPAC2-[[4-(azetidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1ccccc1Nc1nc(NCCO)nc(N2CCC2)n1
InChIInChI=1S/C15H20N6O2/c1-23-12-6-3-2-5-11(12)17-14-18-13(16-7-10-22)19-15(20-14)21-8-4-9-21/h2-3,5-6,22H,4,7-10H2,1H3,(H2,16,17,18,19,20)
InChIKeyXOSQDTKJROFJAM-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.24
Rot. Bonds7

About 2-[[4-(azetidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-(azetidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 23648016) has the molecular formula C15H20N6O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[[4-(azetidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(azetidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID23648016
Molecular FormulaC15H20N6O2
Molecular Weight316.36 g/mol
Exact Mass316.16
IUPAC Name2-[[4-(azetidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1ccccc1Nc1nc(NCCO)nc(N2CCC2)n1
InChIInChI=1S/C15H20N6O2/c1-23-12-6-3-2-5-11(12)17-14-18-13(16-7-10-22)19-15(20-14)21-8-4-9-21/h2-3,5-6,22H,4,7-10H2,1H3,(H2,16,17,18,19,20)
InChIKeyXOSQDTKJROFJAM-UHFFFAOYSA-N
XLogP1.24
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(azetidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(azetidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol (CID 23648016) is 2-[[4-(azetidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(azetidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(azetidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol is COc1ccccc1Nc1nc(NCCO)nc(N2CCC2)n1.
What is the InChIKey of 2-[[4-(azetidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is XOSQDTKJROFJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-23-12-6-3-2-5-11(12)17-14-18-13(16-7-10-22)19-15(20-14)21-8-4-9-21/h2-3,5-6,22H,4,7-10H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 2-[[4-(azetidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(azetidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 316.36 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(azetidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 23648016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).