5-methyl-7-phenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one

C13H11N3O — CID 135417394

IUPAC5-methyl-7-phenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1[nH]c(-c2ccccc2)c2nc[nH]c(=O)c12
InChIInChI=1S/C13H11N3O/c1-8-10-12(14-7-15-13(10)17)11(16-8)9-5-3-2-4-6-9/h2-7,16H,1H3,(H,14,15,17)
InChIKeyFQAQFLZBSXCODG-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.23
Rot. Bonds1

About 5-methyl-7-phenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one

5-methyl-7-phenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 135417394) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-methyl-7-phenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-7-phenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID135417394
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name5-methyl-7-phenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1[nH]c(-c2ccccc2)c2nc[nH]c(=O)c12
InChIInChI=1S/C13H11N3O/c1-8-10-12(14-7-15-13(10)17)11(16-8)9-5-3-2-4-6-9/h2-7,16H,1H3,(H,14,15,17)
InChIKeyFQAQFLZBSXCODG-UHFFFAOYSA-N
XLogP2.23
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-phenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-7-phenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 135417394) is 5-methyl-7-phenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-7-phenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-7-phenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1[nH]c(-c2ccccc2)c2nc[nH]c(=O)c12.
What is the InChIKey of 5-methyl-7-phenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is FQAQFLZBSXCODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-8-10-12(14-7-15-13(10)17)11(16-8)9-5-3-2-4-6-9/h2-7,16H,1H3,(H,14,15,17).
What are the key properties of 5-methyl-7-phenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one?
5-methyl-7-phenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 225.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-phenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135417394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).