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

C14H14N4O2 — CID 166628404

IUPAC4-[5-(furan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESc1nc(N2CCOCC2)c2c(-c3ccoc3)c[nH]c2n1
InChIInChI=1S/C14H14N4O2/c1-4-20-8-10(1)11-7-15-13-12(11)14(17-9-16-13)18-2-5-19-6-3-18/h1,4,7-9H,2-3,5-6H2,(H,15,16,17)
InChIKeyXIVPVCPBGAFXJA-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.05
Rot. Bonds2

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

4-[5-(furan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 166628404) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[5-(furan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5-(furan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID166628404
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name4-[5-(furan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESc1nc(N2CCOCC2)c2c(-c3ccoc3)c[nH]c2n1
InChIInChI=1S/C14H14N4O2/c1-4-20-8-10(1)11-7-15-13-12(11)14(17-9-16-13)18-2-5-19-6-3-18/h1,4,7-9H,2-3,5-6H2,(H,15,16,17)
InChIKeyXIVPVCPBGAFXJA-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-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5-(furan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (CID 166628404) is 4-[5-(furan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5-(furan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5-(furan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is c1nc(N2CCOCC2)c2c(-c3ccoc3)c[nH]c2n1.
What is the InChIKey of 4-[5-(furan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is XIVPVCPBGAFXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-4-20-8-10(1)11-7-15-13-12(11)14(17-9-16-13)18-2-5-19-6-3-18/h1,4,7-9H,2-3,5-6H2,(H,15,16,17).
What are the key properties of 4-[5-(furan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
4-[5-(furan-3-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-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 166628404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).