4-[4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine

C16H21FN4O2 — CID 72945948

IUPAC4-[4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine
SMILESFc1c[nH]c2ncnc(OC3CCC(N4CCOCC4)CC3)c12
InChIInChI=1S/C16H21FN4O2/c17-13-9-18-15-14(13)16(20-10-19-15)23-12-3-1-11(2-4-12)21-5-7-22-8-6-21/h9-12H,1-8H2,(H,18,19,20)
InChIKeyMLERLHIROAWWSH-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.12
Rot. Bonds3

About 4-[4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine

4-[4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine (PubChem CID 72945948) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-[4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine
PubChem CID72945948
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name4-[4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine
SMILESFc1c[nH]c2ncnc(OC3CCC(N4CCOCC4)CC3)c12
InChIInChI=1S/C16H21FN4O2/c17-13-9-18-15-14(13)16(20-10-19-15)23-12-3-1-11(2-4-12)21-5-7-22-8-6-21/h9-12H,1-8H2,(H,18,19,20)
InChIKeyMLERLHIROAWWSH-UHFFFAOYSA-N
XLogP2.12
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine?
The IUPAC name of 4-[4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine (CID 72945948) is 4-[4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine.
What is the SMILES notation for 4-[4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine?
The canonical SMILES for 4-[4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine is Fc1c[nH]c2ncnc(OC3CCC(N4CCOCC4)CC3)c12.
What is the InChIKey of 4-[4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine?
The InChIKey is MLERLHIROAWWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c17-13-9-18-15-14(13)16(20-10-19-15)23-12-3-1-11(2-4-12)21-5-7-22-8-6-21/h9-12H,1-8H2,(H,18,19,20).
What are the key properties of 4-[4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine?
4-[4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine has a molecular weight of 320.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine is sourced from PubChem (CID 72945948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).