6-(8-aminonaphthalen-1-yl)-5-(2-bromophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione

C24H19BrN4O2 — CID 4896706

About 6-(8-aminonaphthalen-1-yl)-5-(2-bromophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione

6-(8-aminonaphthalen-1-yl)-5-(2-bromophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 4896706) has the molecular formula C24H19BrN4O2 and a molecular weight of 475.35 g/mol. Its IUPAC name is 6-(8-aminonaphthalen-1-yl)-5-(2-bromophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-(8-aminonaphthalen-1-yl)-5-(2-bromophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
• PubChem CID: 4896706
• Molecular Formula: C24H19BrN4O2
• Molecular Weight: 475.35 g/mol
• Exact Mass: 474.07
• IUPAC Name: 6-(8-aminonaphthalen-1-yl)-5-(2-bromophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
• SMILES: Cn1c(=O)c2c(-c3ccccc3Br)n(-c3cccc4cccc(N)c34)cc2n(C)c1=O
• InChI: InChI=1S/C24H19BrN4O2/c1-27-19-13-29(18-12-6-8-14-7-5-11-17(26)20(14)18)22(15-9-3-4-10-16(15)25)21(19)23(30)28(2)24(27)31/h3-13H,26H2,1-2H3
• InChIKey: HNHJVAFJOMLKGT-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 74.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.35
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(8-aminonaphthalen-1-yl)-5-(2-bromophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?

The IUPAC name of 6-(8-aminonaphthalen-1-yl)-5-(2-bromophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 4896706) is 6-(8-aminonaphthalen-1-yl)-5-(2-bromophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.

What is the SMILES notation for 6-(8-aminonaphthalen-1-yl)-5-(2-bromophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?

The canonical SMILES for 6-(8-aminonaphthalen-1-yl)-5-(2-bromophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3ccccc3Br)n(-c3cccc4cccc(N)c34)cc2n(C)c1=O.

What is the InChIKey of 6-(8-aminonaphthalen-1-yl)-5-(2-bromophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?

The InChIKey is HNHJVAFJOMLKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN4O2/c1-27-19-13-29(18-12-6-8-14-7-5-11-17(26)20(14)18)22(15-9-3-4-10-16(15)25)21(19)23(30)28(2)24(27)31/h3-13H,26H2,1-2H3.

What are the key properties of 6-(8-aminonaphthalen-1-yl)-5-(2-bromophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?

6-(8-aminonaphthalen-1-yl)-5-(2-bromophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 475.35 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(8-aminonaphthalen-1-yl)-5-(2-bromophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 4896706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).