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

C14H14N4O2 — CID 166635511

IUPAC4-[5-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESc1coc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1
InChIInChI=1S/C14H14N4O2/c1-2-11(20-5-1)10-8-15-13-12(10)14(17-9-16-13)18-3-6-19-7-4-18/h1-2,5,8-9H,3-4,6-7H2,(H,15,16,17)
InChIKeySJUNPBBKTNPXAO-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.05
Rot. Bonds2

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

4-[5-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 166635511) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID166635511
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name4-[5-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESc1coc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1
InChIInChI=1S/C14H14N4O2/c1-2-11(20-5-1)10-8-15-13-12(10)14(17-9-16-13)18-3-6-19-7-4-18/h1-2,5,8-9H,3-4,6-7H2,(H,15,16,17)
InChIKeySJUNPBBKTNPXAO-UHFFFAOYSA-N
XLogP2.05
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (CID 166635511) is 4-[5-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is c1coc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1.
What is the InChIKey of 4-[5-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is SJUNPBBKTNPXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-11(20-5-1)10-8-15-13-12(10)14(17-9-16-13)18-3-6-19-7-4-18/h1-2,5,8-9H,3-4,6-7H2,(H,15,16,17).
What are the key properties of 4-[5-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
4-[5-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 270.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 166635511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).