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

C14H9N3O2 — CID 136911032

IUPAC5-(1-benzofuran-2-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2[nH]cc(-c3cc4ccccc4o3)c12
InChIInChI=1S/C14H9N3O2/c18-14-12-9(6-15-13(12)16-7-17-14)11-5-8-3-1-2-4-10(8)19-11/h1-7H,(H2,15,16,17,18)
InChIKeyKNWNKYRODZZMCT-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.66
Rot. Bonds1

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

5-(1-benzofuran-2-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 136911032) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID136911032
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Name5-(1-benzofuran-2-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2[nH]cc(-c3cc4ccccc4o3)c12
InChIInChI=1S/C14H9N3O2/c18-14-12-9(6-15-13(12)16-7-17-14)11-5-8-3-1-2-4-10(8)19-11/h1-7H,(H2,15,16,17,18)
InChIKeyKNWNKYRODZZMCT-UHFFFAOYSA-N
XLogP2.66
TPSA74.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(1-benzofuran-2-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid
CID 107525167
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
4-(1-benzofuran-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 25015100
2-(1-benzofuran-2-yl)-5-bromo-1H-pyrimidin-6-one
CID 66316989
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
1-[[4-(1-benzofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methyl]piperidin-4-amine
CID 141286265
2-(1-benzofuran-2-yl)-4,4-dimethyl-1H-imidazol-5-one
CID 106953454
2-(2-bromophenyl)-1-benzofuran
CID 14669096
2-pyren-1-yl-1-benzofuran
CID 59390386
2-amino-4-(1-benzofuran-2-yl)-1H-1,3-diazepine-6,7-dione
CID 135958416
2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid
CID 82381604
5-(1-benzofuran-2-yl)benzo[a]anthracene-7,12-dione
CID 12614696

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(1-benzofuran-2-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 136911032) is 5-(1-benzofuran-2-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(1-benzofuran-2-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2[nH]cc(-c3cc4ccccc4o3)c12.
What is the InChIKey of 5-(1-benzofuran-2-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is KNWNKYRODZZMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c18-14-12-9(6-15-13(12)16-7-17-14)11-5-8-3-1-2-4-10(8)19-11/h1-7H,(H2,15,16,17,18).
What are the key properties of 5-(1-benzofuran-2-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
5-(1-benzofuran-2-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 251.25 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 136911032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).