2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol

C12H19FN4O — CID 80767216

IUPAC2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol
SMILESCNc1ncc(F)c(N2CCCCC2CCO)n1
InChIInChI=1S/C12H19FN4O/c1-14-12-15-8-10(13)11(16-12)17-6-3-2-4-9(17)5-7-18/h8-9,18H,2-7H2,1H3,(H,14,15,16)
InChIKeyHRIVLVNIZKSDGU-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.40
Rot. Bonds4

About 2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol

2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol (PubChem CID 80767216) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol
PubChem CID80767216
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol
SMILESCNc1ncc(F)c(N2CCCCC2CCO)n1
InChIInChI=1S/C12H19FN4O/c1-14-12-15-8-10(13)11(16-12)17-6-3-2-4-9(17)5-7-18/h8-9,18H,2-7H2,1H3,(H,14,15,16)
InChIKeyHRIVLVNIZKSDGU-UHFFFAOYSA-N
XLogP1.40
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol (CID 80767216) is 2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol is CNc1ncc(F)c(N2CCCCC2CCO)n1.
What is the InChIKey of 2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol?
The InChIKey is HRIVLVNIZKSDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-14-12-15-8-10(13)11(16-12)17-6-3-2-4-9(17)5-7-18/h8-9,18H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol?
2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol has a molecular weight of 254.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol is sourced from PubChem (CID 80767216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).