2-[(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol

C13H21FN4O2 — CID 5096429

IUPAC2-[(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1nc(N2CCCCC2)ncc1F
InChIInChI=1S/C13H21FN4O2/c14-11-10-15-13(18-4-2-1-3-5-18)16-12(11)17(6-8-19)7-9-20/h10,19-20H,1-9H2
InChIKeyFDCRYWZEXQCMSB-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.40
Rot. Bonds6

About 2-[(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol

2-[(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 5096429) has the molecular formula C13H21FN4O2 and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID5096429
Molecular FormulaC13H21FN4O2
Molecular Weight284.34 g/mol
Exact Mass284.16
IUPAC Name2-[(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1nc(N2CCCCC2)ncc1F
InChIInChI=1S/C13H21FN4O2/c14-11-10-15-13(18-4-2-1-3-5-18)16-12(11)17(6-8-19)7-9-20/h10,19-20H,1-9H2
InChIKeyFDCRYWZEXQCMSB-UHFFFAOYSA-N
XLogP0.40
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (CID 5096429) is 2-[(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)c1nc(N2CCCCC2)ncc1F.
What is the InChIKey of 2-[(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is FDCRYWZEXQCMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O2/c14-11-10-15-13(18-4-2-1-3-5-18)16-12(11)17(6-8-19)7-9-20/h10,19-20H,1-9H2.
What are the key properties of 2-[(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 284.34 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 5096429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).