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

C18H19FN4O2 — CID 123159608

IUPAC4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine
SMILESCOc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOC(C)C3)c12
InChIInChI=1S/C18H19FN4O2/c1-11-9-23(5-6-25-11)18-16-14(8-20-17(16)21-10-22-18)13-7-12(19)3-4-15(13)24-2/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,20,21,22)
InChIKeyZFXOQGPDYHYOLS-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.00
Rot. Bonds3

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

4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine (PubChem CID 123159608) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine
PubChem CID123159608
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine
SMILESCOc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOC(C)C3)c12
InChIInChI=1S/C18H19FN4O2/c1-11-9-23(5-6-25-11)18-16-14(8-20-17(16)21-10-22-18)13-7-12(19)3-4-15(13)24-2/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,20,21,22)
InChIKeyZFXOQGPDYHYOLS-UHFFFAOYSA-N
XLogP3.00
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine?
The IUPAC name of 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine (CID 123159608) is 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine.
What is the SMILES notation for 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine?
The canonical SMILES for 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine is COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOC(C)C3)c12.
What is the InChIKey of 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine?
The InChIKey is ZFXOQGPDYHYOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-11-9-23(5-6-25-11)18-16-14(8-20-17(16)21-10-22-18)13-7-12(19)3-4-15(13)24-2/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,20,21,22).
What are the key properties of 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine?
4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine has a molecular weight of 342.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine is sourced from PubChem (CID 123159608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).