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

C23H23N3O5 — CID 4896739

IUPAC6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C23H23N3O5/c1-24-17-13-26(15-8-11-18(30-4)19(12-15)31-5)21(14-6-9-16(29-3)10-7-14)20(17)22(27)25(2)23(24)28/h6-13H,1-5H3
InChIKeyALQSXROVISRLRF-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.72
Rot. Bonds5

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

6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 4896739) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID4896739
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C23H23N3O5/c1-24-17-13-26(15-8-11-18(30-4)19(12-15)31-5)21(14-6-9-16(29-3)10-7-14)20(17)22(27)25(2)23(24)28/h6-13H,1-5H3
InChIKeyALQSXROVISRLRF-UHFFFAOYSA-N
XLogP2.72
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 4896739) is 6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is ALQSXROVISRLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-24-17-13-26(15-8-11-18(30-4)19(12-15)31-5)21(14-6-9-16(29-3)10-7-14)20(17)22(27)25(2)23(24)28/h6-13H,1-5H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 421.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 4896739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).