4-morpholin-4-yl-6-(morpholin-4-ylmethyl)-1,3,5-triazin-2-amine

C12H20N6O2 — CID 606989

IUPAC4-morpholin-4-yl-6-(morpholin-4-ylmethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CN2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H20N6O2/c13-11-14-10(9-17-1-5-19-6-2-17)15-12(16-11)18-3-7-20-8-4-18/h1-9H2,(H2,13,14,15,16)
InChIKeyAKDKNCSNWDIMKF-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.88
Rot. Bonds3

About 4-morpholin-4-yl-6-(morpholin-4-ylmethyl)-1,3,5-triazin-2-amine

4-morpholin-4-yl-6-(morpholin-4-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 606989) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-(morpholin-4-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-6-(morpholin-4-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID606989
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name4-morpholin-4-yl-6-(morpholin-4-ylmethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CN2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H20N6O2/c13-11-14-10(9-17-1-5-19-6-2-17)15-12(16-11)18-3-7-20-8-4-18/h1-9H2,(H2,13,14,15,16)
InChIKeyAKDKNCSNWDIMKF-UHFFFAOYSA-N
XLogP-0.88
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-(morpholin-4-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-morpholin-4-yl-6-(morpholin-4-ylmethyl)-1,3,5-triazin-2-amine (CID 606989) is 4-morpholin-4-yl-6-(morpholin-4-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-6-(morpholin-4-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-6-(morpholin-4-ylmethyl)-1,3,5-triazin-2-amine is Nc1nc(CN2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-morpholin-4-yl-6-(morpholin-4-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is AKDKNCSNWDIMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c13-11-14-10(9-17-1-5-19-6-2-17)15-12(16-11)18-3-7-20-8-4-18/h1-9H2,(H2,13,14,15,16).
What are the key properties of 4-morpholin-4-yl-6-(morpholin-4-ylmethyl)-1,3,5-triazin-2-amine?
4-morpholin-4-yl-6-(morpholin-4-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 280.33 g/mol, XLogP of -0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-(morpholin-4-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 606989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).