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

C16H17N3O2 — CID 753685

IUPAC6-(3,5-dimethylphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1cc(C)cc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)c1
InChIInChI=1S/C16H17N3O2/c1-10-5-11(2)7-12(6-10)19-8-13-14(9-19)17(3)16(21)18(4)15(13)20/h5-9H,1-4H3
InChIKeyNUBPIJYCSUKMMB-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.64
Rot. Bonds1

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

6-(3,5-dimethylphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 753685) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,5-dimethylphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID753685
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-(3,5-dimethylphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1cc(C)cc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)c1
InChIInChI=1S/C16H17N3O2/c1-10-5-11(2)7-12(6-10)19-8-13-14(9-19)17(3)16(21)18(4)15(13)20/h5-9H,1-4H3
InChIKeyNUBPIJYCSUKMMB-UHFFFAOYSA-N
XLogP1.64
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(3,5-dimethylphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 753685) is 6-(3,5-dimethylphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,5-dimethylphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(3,5-dimethylphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is Cc1cc(C)cc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)c1.
What is the InChIKey of 6-(3,5-dimethylphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is NUBPIJYCSUKMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-5-11(2)7-12(6-10)19-8-13-14(9-19)17(3)16(21)18(4)15(13)20/h5-9H,1-4H3.
What are the key properties of 6-(3,5-dimethylphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
6-(3,5-dimethylphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 283.33 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 753685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).