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

C21H20N4O2 — CID 4871071

IUPAC6-(3-aminophenyl)-1,3-dimethyl-5-(2-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2cn1-c1cccc(N)c1
InChIInChI=1S/C21H20N4O2/c1-13-7-4-5-10-16(13)19-18-17(23(2)21(27)24(3)20(18)26)12-25(19)15-9-6-8-14(22)11-15/h4-12H,22H2,1-3H3
InChIKeyHAYAWONICGWBHH-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.59
Rot. Bonds2

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

6-(3-aminophenyl)-1,3-dimethyl-5-(2-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 4871071) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-(3-aminophenyl)-1,3-dimethyl-5-(2-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-aminophenyl)-1,3-dimethyl-5-(2-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID4871071
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name6-(3-aminophenyl)-1,3-dimethyl-5-(2-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2cn1-c1cccc(N)c1
InChIInChI=1S/C21H20N4O2/c1-13-7-4-5-10-16(13)19-18-17(23(2)21(27)24(3)20(18)26)12-25(19)15-9-6-8-14(22)11-15/h4-12H,22H2,1-3H3
InChIKeyHAYAWONICGWBHH-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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Related Compounds

6-(2-hydroxyethyl)-1,3-dimethyl-5-(2-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 4974727
5-(2-bromophenyl)-6-(4-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 23608802
6-(4-amino-3,5-dibromophenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 5299501
6-(8-aminonaphthalen-1-yl)-5-(2-bromophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 4896706
6-(2-aminophenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 2023561
1,3-dimethyl-5-(3-methylphenyl)-6-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 1422375
6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 2030947
1-(3-aminophenyl)-3-methylbenzimidazol-2-one
CID 82513370
1,3-dimethyl-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 4892672
6-(2-amino-5-nitrophenyl)-5-(2-bromophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 46262837
6-(2,4-dimethylphenyl)-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 2009447
1,3,6-trimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 753688

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-1,3-dimethyl-5-(2-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(3-aminophenyl)-1,3-dimethyl-5-(2-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 4871071) is 6-(3-aminophenyl)-1,3-dimethyl-5-(2-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-aminophenyl)-1,3-dimethyl-5-(2-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-aminophenyl)-1,3-dimethyl-5-(2-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is Cc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2cn1-c1cccc(N)c1.
What is the InChIKey of 6-(3-aminophenyl)-1,3-dimethyl-5-(2-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is HAYAWONICGWBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-7-4-5-10-16(13)19-18-17(23(2)21(27)24(3)20(18)26)12-25(19)15-9-6-8-14(22)11-15/h4-12H,22H2,1-3H3.
What are the key properties of 6-(3-aminophenyl)-1,3-dimethyl-5-(2-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
6-(3-aminophenyl)-1,3-dimethyl-5-(2-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-(3-aminophenyl)-1,3-dimethyl-5-(2-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 4871071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).