2-[methyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol

C13H23N5O2 — CID 3080124

IUPAC2-[methyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol
SMILESCCCc1nc(N(C)CCO)nc(N2CCOCC2)n1
InChIInChI=1S/C13H23N5O2/c1-3-4-11-14-12(17(2)5-8-19)16-13(15-11)18-6-9-20-10-7-18/h19H,3-10H2,1-2H3
InChIKeyKCXOHXBEVYTGFB-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.09
Rot. Bonds6

About 2-[methyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol

2-[methyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol (PubChem CID 3080124) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[methyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol
PubChem CID3080124
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[methyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol
SMILESCCCc1nc(N(C)CCO)nc(N2CCOCC2)n1
InChIInChI=1S/C13H23N5O2/c1-3-4-11-14-12(17(2)5-8-19)16-13(15-11)18-6-9-20-10-7-18/h19H,3-10H2,1-2H3
InChIKeyKCXOHXBEVYTGFB-UHFFFAOYSA-N
XLogP0.09
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol?
The IUPAC name of 2-[methyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol (CID 3080124) is 2-[methyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[methyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol?
The canonical SMILES for 2-[methyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol is CCCc1nc(N(C)CCO)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[methyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol?
The InChIKey is KCXOHXBEVYTGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-4-11-14-12(17(2)5-8-19)16-13(15-11)18-6-9-20-10-7-18/h19H,3-10H2,1-2H3.
What are the key properties of 2-[methyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol?
2-[methyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol has a molecular weight of 281.36 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol is sourced from PubChem (CID 3080124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).