2-(1-benzofuran-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

C14H11N3O2 — CID 136941244

IUPAC2-(1-benzofuran-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2coc3ccccc23)nc2c1CNC2
InChIInChI=1S/C14H11N3O2/c18-14-9-5-15-6-11(9)16-13(17-14)10-7-19-12-4-2-1-3-8(10)12/h1-4,7,15H,5-6H2,(H,16,17,18)
InChIKeyWKFZKYCMDDFAQS-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.79
Rot. Bonds1

About 2-(1-benzofuran-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

2-(1-benzofuran-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941244) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941244
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(1-benzofuran-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2coc3ccccc23)nc2c1CNC2
InChIInChI=1S/C14H11N3O2/c18-14-9-5-15-6-11(9)16-13(17-14)10-7-19-12-4-2-1-3-8(10)12/h1-4,7,15H,5-6H2,(H,16,17,18)
InChIKeyWKFZKYCMDDFAQS-UHFFFAOYSA-N
XLogP1.79
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(1-benzofuran-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941244) is 2-(1-benzofuran-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-benzofuran-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is O=c1[nH]c(-c2coc3ccccc23)nc2c1CNC2.
What is the InChIKey of 2-(1-benzofuran-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is WKFZKYCMDDFAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-14-9-5-15-6-11(9)16-13(17-14)10-7-19-12-4-2-1-3-8(10)12/h1-4,7,15H,5-6H2,(H,16,17,18).
What are the key properties of 2-(1-benzofuran-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(1-benzofuran-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 253.26 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).