2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-2-yl]ethanol

C11H17FN4O — CID 80766899

IUPAC2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-2-yl]ethanol
SMILESNc1ncc(F)c(N2CCCCC2CCO)n1
InChIInChI=1S/C11H17FN4O/c12-9-7-14-11(13)15-10(9)16-5-2-1-3-8(16)4-6-17/h7-8,17H,1-6H2,(H2,13,14,15)
InChIKeyZAZSFFMNMBRLBJ-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.94
Rot. Bonds3

About 2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-2-yl]ethanol

2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-2-yl]ethanol (PubChem CID 80766899) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-2-yl]ethanol
PubChem CID80766899
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-2-yl]ethanol
SMILESNc1ncc(F)c(N2CCCCC2CCO)n1
InChIInChI=1S/C11H17FN4O/c12-9-7-14-11(13)15-10(9)16-5-2-1-3-8(16)4-6-17/h7-8,17H,1-6H2,(H2,13,14,15)
InChIKeyZAZSFFMNMBRLBJ-UHFFFAOYSA-N
XLogP0.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-2-yl]ethanol (CID 80766899) is 2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-2-yl]ethanol is Nc1ncc(F)c(N2CCCCC2CCO)n1.
What is the InChIKey of 2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-2-yl]ethanol?
The InChIKey is ZAZSFFMNMBRLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c12-9-7-14-11(13)15-10(9)16-5-2-1-3-8(16)4-6-17/h7-8,17H,1-6H2,(H2,13,14,15).
What are the key properties of 2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-2-yl]ethanol?
2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-2-yl]ethanol has a molecular weight of 240.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 80766899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).