5-phenyl-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one

C12H9N3O — CID 155631294

IUPAC5-phenyl-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1C(c1ccccc1)C=N2
InChIInChI=1S/C12H9N3O/c16-12-10-9(8-4-2-1-3-5-8)6-13-11(10)14-7-15-12/h1-7,9H,(H,14,15,16)
InChIKeyNTGCFIJOWPLFMB-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.62
Rot. Bonds1

About 5-phenyl-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one

5-phenyl-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 155631294) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-phenyl-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-phenyl-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID155631294
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name5-phenyl-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1C(c1ccccc1)C=N2
InChIInChI=1S/C12H9N3O/c16-12-10-9(8-4-2-1-3-5-8)6-13-11(10)14-7-15-12/h1-7,9H,(H,14,15,16)
InChIKeyNTGCFIJOWPLFMB-UHFFFAOYSA-N
XLogP1.62
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-phenyl-3,5-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

6-oxo-4-(4-phenylpiperidin-1-yl)-1H-pyrimidine-5-carbaldehyde
CID 136679117
5-bromo-4-phenyl-1H-pyrimidin-6-one
CID 135502028
methane;3H-quinazolin-4-one
CID 143348425
(5S)-7-amino-4-oxo-5-(4-phenylphenyl)-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 1203559
5,7-bis(4-chlorophenyl)-3,5-dihydropyrano[2,3-d]pyrimidin-4-one
CID 11975007
5-hydroxy-4-[(4-phenylanilino)methyl]-1H-pyrimidin-6-one
CID 137230299
5-chloro-4-phenoxy-1H-pyrimidin-6-one
CID 114676015
6-phenyl-3H-quinazolin-4-one
CID 135741302
6-(cyclopropylsulfanylamino)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 166798707
(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 135285970
6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 140892299
ethane;iodomethane;3H-quinazolin-4-one
CID 136650915

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-phenyl-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 155631294) is 5-phenyl-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-phenyl-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-phenyl-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2c1C(c1ccccc1)C=N2.
What is the InChIKey of 5-phenyl-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is NTGCFIJOWPLFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-12-10-9(8-4-2-1-3-5-8)6-13-11(10)14-7-15-12/h1-7,9H,(H,14,15,16).
What are the key properties of 5-phenyl-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one?
5-phenyl-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 211.22 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 155631294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).