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

C19H27N5O2 — CID 3080127

IUPAC2-[benzyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol
SMILESCCCc1nc(N2CCOCC2)nc(N(CCO)Cc2ccccc2)n1
InChIInChI=1S/C19H27N5O2/c1-2-6-17-20-18(23-10-13-26-14-11-23)22-19(21-17)24(9-12-25)15-16-7-4-3-5-8-16/h3-5,7-8,25H,2,6,9-15H2,1H3
InChIKeyOJUOCXIDKPCXNG-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.66
Rot. Bonds8

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

2-[benzyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol (PubChem CID 3080127) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[benzyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol
PubChem CID3080127
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-[benzyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol
SMILESCCCc1nc(N2CCOCC2)nc(N(CCO)Cc2ccccc2)n1
InChIInChI=1S/C19H27N5O2/c1-2-6-17-20-18(23-10-13-26-14-11-23)22-19(21-17)24(9-12-25)15-16-7-4-3-5-8-16/h3-5,7-8,25H,2,6,9-15H2,1H3
InChIKeyOJUOCXIDKPCXNG-UHFFFAOYSA-N
XLogP1.66
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[benzyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol with MolForge

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Related Compounds

2,4-Bismorpholino-6-benzylamino-1,3,5-triazine
CID 1068729
4-[Cyclopentyl-[(2,4-difluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 155519833
4-[Cyclopentyl-[(4-fluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 155529633
4-[Cyclopentyl-[(2,6-difluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 155542219
4-[Cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 155551886
4-[Cyclopentyl-[(3-fluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 155554135
2-[[4-(2-Hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]ethanol
CID 23295141
2-[(4-Morpholin-4-yl-6-phenyl-1,3,5-triazin-2-yl)amino]acetic acid
CID 60161907
Isoquinoline, 1,2,3,4-tetrahydro-2-((4-amino-6-morpholino-s-triazin-2-yl)methyl)-
CID 34836
Isoquinoline, 1,2,3,4-tetrahydro-2-(4-amino-6-(morpholinomethyl)-s-triazin-2-yl)-
CID 207513
s-Triazine, 2-amino-4-((4-benzyl-1-piperazinyl)methyl)-6-morpholino-
CID 210926
4-[1-(4-Fluorophenyl)ethyl-(3-methylbutyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 171343842

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol?
The IUPAC name of 2-[benzyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol (CID 3080127) is 2-[benzyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[benzyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol?
The canonical SMILES for 2-[benzyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol is CCCc1nc(N2CCOCC2)nc(N(CCO)Cc2ccccc2)n1.
What is the InChIKey of 2-[benzyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol?
The InChIKey is OJUOCXIDKPCXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-2-6-17-20-18(23-10-13-26-14-11-23)22-19(21-17)24(9-12-25)15-16-7-4-3-5-8-16/h3-5,7-8,25H,2,6,9-15H2,1H3.
What are the key properties of 2-[benzyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol?
2-[benzyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol has a molecular weight of 357.46 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol is sourced from PubChem (CID 3080127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).