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

C17H17FN4O2 — CID 72706584

IUPAC4-[5-(3-fluoro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESCOc1cc(F)cc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1
InChIInChI=1S/C17H17FN4O2/c1-23-13-7-11(6-12(18)8-13)14-9-19-16-15(14)17(21-10-20-16)22-2-4-24-5-3-22/h6-10H,2-5H2,1H3,(H,19,20,21)
InChIKeyLZEFYMNXDMEWJB-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.61
Rot. Bonds3

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

4-[5-(3-fluoro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 72706584) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 4-[5-(3-fluoro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5-(3-fluoro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID72706584
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name4-[5-(3-fluoro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESCOc1cc(F)cc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1
InChIInChI=1S/C17H17FN4O2/c1-23-13-7-11(6-12(18)8-13)14-9-19-16-15(14)17(21-10-20-16)22-2-4-24-5-3-22/h6-10H,2-5H2,1H3,(H,19,20,21)
InChIKeyLZEFYMNXDMEWJB-UHFFFAOYSA-N
XLogP2.61
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-fluoro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5-(3-fluoro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (CID 72706584) is 4-[5-(3-fluoro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5-(3-fluoro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5-(3-fluoro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is COc1cc(F)cc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1.
What is the InChIKey of 4-[5-(3-fluoro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is LZEFYMNXDMEWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-23-13-7-11(6-12(18)8-13)14-9-19-16-15(14)17(21-10-20-16)22-2-4-24-5-3-22/h6-10H,2-5H2,1H3,(H,19,20,21).
What are the key properties of 4-[5-(3-fluoro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
4-[5-(3-fluoro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 328.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-fluoro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 72706584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).