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

C13H22N6O — CID 2916857

IUPAC2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol
SMILESOCCNc1nc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C13H22N6O/c20-10-5-14-11-15-12(18-6-1-2-7-18)17-13(16-11)19-8-3-4-9-19/h20H,1-10H2,(H,14,15,16,17)
InChIKeyBOAWPGVFGGCCON-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.48
Rot. Bonds5

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

2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol (PubChem CID 2916857) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol
PubChem CID2916857
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol
SMILESOCCNc1nc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C13H22N6O/c20-10-5-14-11-15-12(18-6-1-2-7-18)17-13(16-11)19-8-3-4-9-19/h20H,1-10H2,(H,14,15,16,17)
InChIKeyBOAWPGVFGGCCON-UHFFFAOYSA-N
XLogP0.48
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol?
The IUPAC name of 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol (CID 2916857) is 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol?
The canonical SMILES for 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol is OCCNc1nc(N2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol?
The InChIKey is BOAWPGVFGGCCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c20-10-5-14-11-15-12(18-6-1-2-7-18)17-13(16-11)19-8-3-4-9-19/h20H,1-10H2,(H,14,15,16,17).
What are the key properties of 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol?
2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol has a molecular weight of 278.36 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol is sourced from PubChem (CID 2916857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).