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

C21H20N4O2 — CID 2023561

IUPAC6-(2-aminophenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccccc2N)c1
InChIInChI=1S/C21H20N4O2/c1-13-7-6-8-14(11-13)19-18-17(23(2)21(27)24(3)20(18)26)12-25(19)16-10-5-4-9-15(16)22/h4-12H,22H2,1-3H3
InChIKeyFYGFXNQFXMHKNS-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.59
Rot. Bonds2

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

6-(2-aminophenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 2023561) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-(2-aminophenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-aminophenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID2023561
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name6-(2-aminophenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccccc2N)c1
InChIInChI=1S/C21H20N4O2/c1-13-7-6-8-14(11-13)19-18-17(23(2)21(27)24(3)20(18)26)12-25(19)16-10-5-4-9-15(16)22/h4-12H,22H2,1-3H3
InChIKeyFYGFXNQFXMHKNS-UHFFFAOYSA-N
XLogP2.59
TPSA74.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.59
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-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2-aminophenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 2023561) is 6-(2-aminophenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-aminophenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-aminophenyl)-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-c2ccccc2N)c1.
What is the InChIKey of 6-(2-aminophenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is FYGFXNQFXMHKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-7-6-8-14(11-13)19-18-17(23(2)21(27)24(3)20(18)26)12-25(19)16-10-5-4-9-15(16)22/h4-12H,22H2,1-3H3.
What are the key properties of 6-(2-aminophenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
6-(2-aminophenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 360.42 g/mol, XLogP of 2.59, 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-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2023561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).