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

C20H18FN3O3 — CID 5302132

IUPAC6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCOc1ccc(C2NC(=O)N(C)C3=C2C(=O)N(c2ccc(F)cc2)C3)cc1
InChIInChI=1S/C20H18FN3O3/c1-23-16-11-24(14-7-5-13(21)6-8-14)19(25)17(16)18(22-20(23)26)12-3-9-15(27-2)10-4-12/h3-10,18H,11H2,1-2H3,(H,22,26)
InChIKeyFZFQWEDONNWPQG-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.83
Rot. Bonds3

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

6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 5302132) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID5302132
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCOc1ccc(C2NC(=O)N(C)C3=C2C(=O)N(c2ccc(F)cc2)C3)cc1
InChIInChI=1S/C20H18FN3O3/c1-23-16-11-24(14-7-5-13(21)6-8-14)19(25)17(16)18(22-20(23)26)12-3-9-15(27-2)10-4-12/h3-10,18H,11H2,1-2H3,(H,22,26)
InChIKeyFZFQWEDONNWPQG-UHFFFAOYSA-N
XLogP2.83
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 5302132) is 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is COc1ccc(C2NC(=O)N(C)C3=C2C(=O)N(c2ccc(F)cc2)C3)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is FZFQWEDONNWPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-23-16-11-24(14-7-5-13(21)6-8-14)19(25)17(16)18(22-20(23)26)12-3-9-15(27-2)10-4-12/h3-10,18H,11H2,1-2H3,(H,22,26).
What are the key properties of 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 367.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 5302132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).