4-[6-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine

C11H12F2N4O — CID 141383914

IUPAC4-[6-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESFC(F)c1cc2c(N3CCOCC3)ncnc2[nH]1
InChIInChI=1S/C11H12F2N4O/c12-9(13)8-5-7-10(16-8)14-6-15-11(7)17-1-3-18-4-2-17/h5-6,9H,1-4H2,(H,14,15,16)
InChIKeyYFIJJXLJHYLNTK-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.73
Rot. Bonds2

About 4-[6-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine

4-[6-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 141383914) has the molecular formula C11H12F2N4O and a molecular weight of 254.24 g/mol. Its IUPAC name is 4-[6-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID141383914
Molecular FormulaC11H12F2N4O
Molecular Weight254.24 g/mol
Exact Mass254.10
IUPAC Name4-[6-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESFC(F)c1cc2c(N3CCOCC3)ncnc2[nH]1
InChIInChI=1S/C11H12F2N4O/c12-9(13)8-5-7-10(16-8)14-6-15-11(7)17-1-3-18-4-2-17/h5-6,9H,1-4H2,(H,14,15,16)
InChIKeyYFIJJXLJHYLNTK-UHFFFAOYSA-N
XLogP1.73
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (CID 141383914) is 4-[6-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is FC(F)c1cc2c(N3CCOCC3)ncnc2[nH]1.
What is the InChIKey of 4-[6-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is YFIJJXLJHYLNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O/c12-9(13)8-5-7-10(16-8)14-6-15-11(7)17-1-3-18-4-2-17/h5-6,9H,1-4H2,(H,14,15,16).
What are the key properties of 4-[6-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
4-[6-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 254.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 141383914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).