6-(2-aminophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione

C14H14N4O2 — CID 746581

IUPAC6-(2-aminophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cn(-c3ccccc3N)cc2n(C)c1=O
InChIInChI=1S/C14H14N4O2/c1-16-12-8-18(11-6-4-3-5-10(11)15)7-9(12)13(19)17(2)14(16)20/h3-8H,15H2,1-2H3
InChIKeyFTSXEXGEBABPTN-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.61
Rot. Bonds1

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

6-(2-aminophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 746581) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 6-(2-aminophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-aminophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID746581
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name6-(2-aminophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cn(-c3ccccc3N)cc2n(C)c1=O
InChIInChI=1S/C14H14N4O2/c1-16-12-8-18(11-6-4-3-5-10(11)15)7-9(12)13(19)17(2)14(16)20/h3-8H,15H2,1-2H3
InChIKeyFTSXEXGEBABPTN-UHFFFAOYSA-N
XLogP0.61
TPSA74.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.61
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-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2-aminophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 746581) is 6-(2-aminophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-aminophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-aminophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)c2cn(-c3ccccc3N)cc2n(C)c1=O.
What is the InChIKey of 6-(2-aminophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is FTSXEXGEBABPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-16-12-8-18(11-6-4-3-5-10(11)15)7-9(12)13(19)17(2)14(16)20/h3-8H,15H2,1-2H3.
What are the key properties of 6-(2-aminophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
6-(2-aminophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 270.29 g/mol, XLogP of 0.61, 1 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-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 746581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).