6-(2-aminophenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione

C20H18N4O2 — CID 709856

IUPAC6-(2-aminophenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3)n(-c3ccccc3N)cc2n(C)c1=O
InChIInChI=1S/C20H18N4O2/c1-22-16-12-24(15-11-7-6-10-14(15)21)18(13-8-4-3-5-9-13)17(16)19(25)23(2)20(22)26/h3-12H,21H2,1-2H3
InChIKeyZZSSERPNGCHJDT-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.28
Rot. Bonds2

About 6-(2-aminophenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione

6-(2-aminophenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 709856) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 6-(2-aminophenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-aminophenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID709856
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name6-(2-aminophenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3)n(-c3ccccc3N)cc2n(C)c1=O
InChIInChI=1S/C20H18N4O2/c1-22-16-12-24(15-11-7-6-10-14(15)21)18(13-8-4-3-5-9-13)17(16)19(25)23(2)20(22)26/h3-12H,21H2,1-2H3
InChIKeyZZSSERPNGCHJDT-UHFFFAOYSA-N
XLogP2.28
TPSA74.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminophenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2-aminophenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 709856) is 6-(2-aminophenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-aminophenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-aminophenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3ccccc3)n(-c3ccccc3N)cc2n(C)c1=O.
What is the InChIKey of 6-(2-aminophenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is ZZSSERPNGCHJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-22-16-12-24(15-11-7-6-10-14(15)21)18(13-8-4-3-5-9-13)17(16)19(25)23(2)20(22)26/h3-12H,21H2,1-2H3.
What are the key properties of 6-(2-aminophenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
6-(2-aminophenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 346.39 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminophenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 709856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).