6-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione

C19H13N3O4 — CID 132542480

IUPAC6-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione
SMILESCOc1ccc(N2C(=O)c3[nH]c(=O)nc(-c4ccccc4)c3C2=O)cc1
InChIInChI=1S/C19H13N3O4/c1-26-13-9-7-12(8-10-13)22-17(23)14-15(11-5-3-2-4-6-11)20-19(25)21-16(14)18(22)24/h2-10H,1H3,(H,20,21,25)
InChIKeyKFHKDGUHVAUGCC-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.25
Rot. Bonds3

About 6-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione

6-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione (PubChem CID 132542480) has the molecular formula C19H13N3O4 and a molecular weight of 347.33 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione
PubChem CID132542480
Molecular FormulaC19H13N3O4
Molecular Weight347.33 g/mol
Exact Mass347.09
IUPAC Name6-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione
SMILESCOc1ccc(N2C(=O)c3[nH]c(=O)nc(-c4ccccc4)c3C2=O)cc1
InChIInChI=1S/C19H13N3O4/c1-26-13-9-7-12(8-10-13)22-17(23)14-15(11-5-3-2-4-6-11)20-19(25)21-16(14)18(22)24/h2-10H,1H3,(H,20,21,25)
InChIKeyKFHKDGUHVAUGCC-UHFFFAOYSA-N
XLogP2.25
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-[4-[4-[2,3-bis(4-methoxyphenyl)-5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl]phenyl]phenyl]-2,3-bis(4-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 100925756
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one
CID 632724
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
6-methoxy-2-phenylpyrrolo[3,4-b]quinoxaline-1,3-dione
CID 15417894
4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione
CID 3092594
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
(8'Z)-4'-(4-methoxyphenyl)-8'-[(4-methoxyphenyl)methylidene]-1,3,5',7'-tetraphenyl-2-sulfanylidenespiro[1,3-diazinane-5,6'-5,7-dihydro-3H-quinazoline]-2',4,6-trione
CID 11549589
1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560737
4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 56588810
2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
CID 44537911

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione?
The IUPAC name of 6-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione (CID 132542480) is 6-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione.
What is the SMILES notation for 6-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione?
The canonical SMILES for 6-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione is COc1ccc(N2C(=O)c3[nH]c(=O)nc(-c4ccccc4)c3C2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione?
The InChIKey is KFHKDGUHVAUGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4/c1-26-13-9-7-12(8-10-13)22-17(23)14-15(11-5-3-2-4-6-11)20-19(25)21-16(14)18(22)24/h2-10H,1H3,(H,20,21,25).
What are the key properties of 6-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione?
6-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione has a molecular weight of 347.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione is sourced from PubChem (CID 132542480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).