6-[(E)-2-(4-acetylphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione

C19H19N3O3 — CID 71563176

IUPAC6-[(E)-2-(4-acetylphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCC(=O)c1ccc(/C=C/c2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1
InChIInChI=1S/C19H19N3O3/c1-12(23)14-8-5-13(6-9-14)7-10-15-11-16-17(20(15)2)18(24)22(4)19(25)21(16)3/h5-11H,1-4H3/b10-7+
InChIKeyZFGJOSGQTRSQDZ-JXMROGBWSA-N
MW337.38 g/mol
LogP1.95
Rot. Bonds3

About 6-[(E)-2-(4-acetylphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione

6-[(E)-2-(4-acetylphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 71563176) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-[(E)-2-(4-acetylphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(E)-2-(4-acetylphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID71563176
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name6-[(E)-2-(4-acetylphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCC(=O)c1ccc(/C=C/c2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1
InChIInChI=1S/C19H19N3O3/c1-12(23)14-8-5-13(6-9-14)7-10-15-11-16-17(20(15)2)18(24)22(4)19(25)21(16)3/h5-11H,1-4H3/b10-7+
InChIKeyZFGJOSGQTRSQDZ-JXMROGBWSA-N
XLogP1.95
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(4-acetylphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[(E)-2-(4-acetylphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione (CID 71563176) is 6-[(E)-2-(4-acetylphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(E)-2-(4-acetylphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(E)-2-(4-acetylphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione is CC(=O)c1ccc(/C=C/c2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1.
What is the InChIKey of 6-[(E)-2-(4-acetylphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is ZFGJOSGQTRSQDZ-JXMROGBWSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(23)14-8-5-13(6-9-14)7-10-15-11-16-17(20(15)2)18(24)22(4)19(25)21(16)3/h5-11H,1-4H3/b10-7+.
What are the key properties of 6-[(E)-2-(4-acetylphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione?
6-[(E)-2-(4-acetylphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 337.38 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(4-acetylphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 71563176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).