4-(4-hydroxy-3-methoxyphenyl)-6-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

C21H21N3O5 — CID 5302409

IUPAC4-(4-hydroxy-3-methoxyphenyl)-6-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCOc1ccc(N2CC3=C(C2=O)C(c2ccc(O)c(OC)c2)NC(=O)N3C)cc1
InChIInChI=1S/C21H21N3O5/c1-23-15-11-24(13-5-7-14(28-2)8-6-13)20(26)18(15)19(22-21(23)27)12-4-9-16(25)17(10-12)29-3/h4-10,19,25H,11H2,1-3H3,(H,22,27)
InChIKeyUWIWPLFUPLZXHV-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.41
Rot. Bonds4

About 4-(4-hydroxy-3-methoxyphenyl)-6-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

4-(4-hydroxy-3-methoxyphenyl)-6-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 5302409) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methoxyphenyl)-6-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-(4-hydroxy-3-methoxyphenyl)-6-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID5302409
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)-6-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCOc1ccc(N2CC3=C(C2=O)C(c2ccc(O)c(OC)c2)NC(=O)N3C)cc1
InChIInChI=1S/C21H21N3O5/c1-23-15-11-24(13-5-7-14(28-2)8-6-13)20(26)18(15)19(22-21(23)27)12-4-9-16(25)17(10-12)29-3/h4-10,19,25H,11H2,1-3H3,(H,22,27)
InChIKeyUWIWPLFUPLZXHV-UHFFFAOYSA-N
XLogP2.41
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-6-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-6-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 5302409) is 4-(4-hydroxy-3-methoxyphenyl)-6-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-(4-hydroxy-3-methoxyphenyl)-6-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 4-(4-hydroxy-3-methoxyphenyl)-6-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is COc1ccc(N2CC3=C(C2=O)C(c2ccc(O)c(OC)c2)NC(=O)N3C)cc1.
What is the InChIKey of 4-(4-hydroxy-3-methoxyphenyl)-6-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is UWIWPLFUPLZXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-23-15-11-24(13-5-7-14(28-2)8-6-13)20(26)18(15)19(22-21(23)27)12-4-9-16(25)17(10-12)29-3/h4-10,19,25H,11H2,1-3H3,(H,22,27).
What are the key properties of 4-(4-hydroxy-3-methoxyphenyl)-6-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
4-(4-hydroxy-3-methoxyphenyl)-6-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 395.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methoxyphenyl)-6-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 5302409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).