6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

C23H24N4O2 — CID 2030947

IUPAC6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cc(C)c(C)cc2N)c1
InChIInChI=1S/C23H24N4O2/c1-13-7-6-8-16(9-13)21-20-19(25(4)23(29)26(5)22(20)28)12-27(21)18-11-15(3)14(2)10-17(18)24/h6-12H,24H2,1-5H3
InChIKeyJGDZZTQIWBQGFL-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.20
Rot. Bonds2

About 6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 2030947) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID2030947
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cc(C)c(C)cc2N)c1
InChIInChI=1S/C23H24N4O2/c1-13-7-6-8-16(9-13)21-20-19(25(4)23(29)26(5)22(20)28)12-27(21)18-11-15(3)14(2)10-17(18)24/h6-12H,24H2,1-5H3
InChIKeyJGDZZTQIWBQGFL-UHFFFAOYSA-N
XLogP3.20
TPSA74.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk_B(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 2030947) is 6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cc(C)c(C)cc2N)c1.
What is the InChIKey of 6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is JGDZZTQIWBQGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-13-7-6-8-16(9-13)21-20-19(25(4)23(29)26(5)22(20)28)12-27(21)18-11-15(3)14(2)10-17(18)24/h6-12H,24H2,1-5H3.
What are the key properties of 6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 388.47 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2030947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).