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

C16H15FN4O — CID 72706460

IUPAC4-[5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESFc1ccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)cc1
InChIInChI=1S/C16H15FN4O/c17-12-3-1-11(2-4-12)13-9-18-15-14(13)16(20-10-19-15)21-5-7-22-8-6-21/h1-4,9-10H,5-8H2,(H,18,19,20)
InChIKeyTZWUTAYHWCWNFP-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.60
Rot. Bonds2

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

4-[5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 72706460) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID72706460
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name4-[5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESFc1ccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)cc1
InChIInChI=1S/C16H15FN4O/c17-12-3-1-11(2-4-12)13-9-18-15-14(13)16(20-10-19-15)21-5-7-22-8-6-21/h1-4,9-10H,5-8H2,(H,18,19,20)
InChIKeyTZWUTAYHWCWNFP-UHFFFAOYSA-N
XLogP2.60
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (CID 72706460) is 4-[5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is Fc1ccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is TZWUTAYHWCWNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c17-12-3-1-11(2-4-12)13-9-18-15-14(13)16(20-10-19-15)21-5-7-22-8-6-21/h1-4,9-10H,5-8H2,(H,18,19,20).
What are the key properties of 4-[5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
4-[5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 298.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 72706460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).