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

C12H19FN4O2 — CID 82692076

IUPAC2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
SMILESCNc1ncc(F)c(N2CCC(OCCO)CC2)n1
InChIInChI=1S/C12H19FN4O2/c1-14-12-15-8-10(13)11(16-12)17-4-2-9(3-5-17)19-7-6-18/h8-9,18H,2-7H2,1H3,(H,14,15,16)
InChIKeyJHYHYDAAGNPUEP-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.64
Rot. Bonds5

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

2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol (PubChem CID 82692076) has the molecular formula C12H19FN4O2 and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
PubChem CID82692076
Molecular FormulaC12H19FN4O2
Molecular Weight270.31 g/mol
Exact Mass270.15
IUPAC Name2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
SMILESCNc1ncc(F)c(N2CCC(OCCO)CC2)n1
InChIInChI=1S/C12H19FN4O2/c1-14-12-15-8-10(13)11(16-12)17-4-2-9(3-5-17)19-7-6-18/h8-9,18H,2-7H2,1H3,(H,14,15,16)
InChIKeyJHYHYDAAGNPUEP-UHFFFAOYSA-N
XLogP0.64
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol (CID 82692076) is 2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol is CNc1ncc(F)c(N2CCC(OCCO)CC2)n1.
What is the InChIKey of 2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol?
The InChIKey is JHYHYDAAGNPUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O2/c1-14-12-15-8-10(13)11(16-12)17-4-2-9(3-5-17)19-7-6-18/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-4-yl]oxyethanol?
2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol has a molecular weight of 270.31 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82692076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).