2-[(5-aminopyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol

C9H14F2N4O — CID 107486198

IUPAC2-[(5-aminopyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESNc1cnc(CN(CCO)CC(F)F)cn1
InChIInChI=1S/C9H14F2N4O/c10-8(11)6-15(1-2-16)5-7-3-14-9(12)4-13-7/h3-4,8,16H,1-2,5-6H2,(H2,12,14)
InChIKeyUSUHTUHALCHPPV-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.12
Rot. Bonds6

About 2-[(5-aminopyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol

2-[(5-aminopyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107486198) has the molecular formula C9H14F2N4O and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-[(5-aminopyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-aminopyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107486198
Molecular FormulaC9H14F2N4O
Molecular Weight232.23 g/mol
Exact Mass232.11
IUPAC Name2-[(5-aminopyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESNc1cnc(CN(CCO)CC(F)F)cn1
InChIInChI=1S/C9H14F2N4O/c10-8(11)6-15(1-2-16)5-7-3-14-9(12)4-13-7/h3-4,8,16H,1-2,5-6H2,(H2,12,14)
InChIKeyUSUHTUHALCHPPV-UHFFFAOYSA-N
XLogP0.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminopyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-aminopyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol (CID 107486198) is 2-[(5-aminopyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-aminopyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-aminopyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol is Nc1cnc(CN(CCO)CC(F)F)cn1.
What is the InChIKey of 2-[(5-aminopyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is USUHTUHALCHPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O/c10-8(11)6-15(1-2-16)5-7-3-14-9(12)4-13-7/h3-4,8,16H,1-2,5-6H2,(H2,12,14).
What are the key properties of 2-[(5-aminopyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
2-[(5-aminopyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 232.23 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminopyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107486198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).