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

C17H17FN4O2 — CID 72706516

IUPAC4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESCOc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
InChIInChI=1S/C17H17FN4O2/c1-23-14-3-2-11(18)8-12(14)13-9-19-16-15(13)17(21-10-20-16)22-4-6-24-7-5-22/h2-3,8-10H,4-7H2,1H3,(H,19,20,21)
InChIKeyBDANSBILGUASKD-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.61
Rot. Bonds3

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

4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 72706516) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID72706516
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESCOc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
InChIInChI=1S/C17H17FN4O2/c1-23-14-3-2-11(18)8-12(14)13-9-19-16-15(13)17(21-10-20-16)22-4-6-24-7-5-22/h2-3,8-10H,4-7H2,1H3,(H,19,20,21)
InChIKeyBDANSBILGUASKD-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-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (CID 72706516) is 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12.
What is the InChIKey of 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is BDANSBILGUASKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-23-14-3-2-11(18)8-12(14)13-9-19-16-15(13)17(21-10-20-16)22-4-6-24-7-5-22/h2-3,8-10H,4-7H2,1H3,(H,19,20,21).
What are the key properties of 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
4-[5-(5-fluoro-2-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-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 72706516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).