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

C18H19N3O3 — CID 71562929

IUPAC6-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCOc1cccc(/C=C/c2cc3c(c(=O)n(C)c(=O)n3C)n2C)c1
InChIInChI=1S/C18H19N3O3/c1-19-13(9-8-12-6-5-7-14(10-12)24-4)11-15-16(19)17(22)21(3)18(23)20(15)2/h5-11H,1-4H3/b9-8+
InChIKeyJIFDQSFRBJEEAE-CMDGGOBGSA-N
MW325.37 g/mol
LogP1.75
Rot. Bonds3

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

6-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 71562929) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID71562929
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name6-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCOc1cccc(/C=C/c2cc3c(c(=O)n(C)c(=O)n3C)n2C)c1
InChIInChI=1S/C18H19N3O3/c1-19-13(9-8-12-6-5-7-14(10-12)24-4)11-15-16(19)17(22)21(3)18(23)20(15)2/h5-11H,1-4H3/b9-8+
InChIKeyJIFDQSFRBJEEAE-CMDGGOBGSA-N
XLogP1.75
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione (CID 71562929) is 6-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione is COc1cccc(/C=C/c2cc3c(c(=O)n(C)c(=O)n3C)n2C)c1.
What is the InChIKey of 6-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is JIFDQSFRBJEEAE-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-19-13(9-8-12-6-5-7-14(10-12)24-4)11-15-16(19)17(22)21(3)18(23)20(15)2/h5-11H,1-4H3/b9-8+.
What are the key properties of 6-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione?
6-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 325.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 71562929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).