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

C20H16BrN3O3 — CID 23608802

IUPAC5-(2-bromophenyl)-6-(4-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3Br)n(-c3ccc(O)cc3)cc2n(C)c1=O
InChIInChI=1S/C20H16BrN3O3/c1-22-16-11-24(12-7-9-13(25)10-8-12)18(14-5-3-4-6-15(14)21)17(16)19(26)23(2)20(22)27/h3-11,25H,1-2H3
InChIKeyMUAWCRBGPVWFQJ-UHFFFAOYSA-N
MW426.27 g/mol
LogP3.16
Rot. Bonds2

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

5-(2-bromophenyl)-6-(4-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 23608802) has the molecular formula C20H16BrN3O3 and a molecular weight of 426.27 g/mol. Its IUPAC name is 5-(2-bromophenyl)-6-(4-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-bromophenyl)-6-(4-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID23608802
Molecular FormulaC20H16BrN3O3
Molecular Weight426.27 g/mol
Exact Mass425.04
IUPAC Name5-(2-bromophenyl)-6-(4-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3Br)n(-c3ccc(O)cc3)cc2n(C)c1=O
InChIInChI=1S/C20H16BrN3O3/c1-22-16-11-24(12-7-9-13(25)10-8-12)18(14-5-3-4-6-15(14)21)17(16)19(26)23(2)20(22)27/h3-11,25H,1-2H3
InChIKeyMUAWCRBGPVWFQJ-UHFFFAOYSA-N
XLogP3.16
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-6-(4-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(2-bromophenyl)-6-(4-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 23608802) is 5-(2-bromophenyl)-6-(4-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-bromophenyl)-6-(4-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-bromophenyl)-6-(4-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3ccccc3Br)n(-c3ccc(O)cc3)cc2n(C)c1=O.
What is the InChIKey of 5-(2-bromophenyl)-6-(4-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is MUAWCRBGPVWFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O3/c1-22-16-11-24(12-7-9-13(25)10-8-12)18(14-5-3-4-6-15(14)21)17(16)19(26)23(2)20(22)27/h3-11,25H,1-2H3.
What are the key properties of 5-(2-bromophenyl)-6-(4-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
5-(2-bromophenyl)-6-(4-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 426.27 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-6-(4-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 23608802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).