3-hydroxy-7-(3-methoxyphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione

C13H10N2O5 — CID 11701788

IUPAC3-hydroxy-7-(3-methoxyphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione
SMILESCOc1cccc(-c2coc3c(=O)n(O)c(=O)[nH]c23)c1
InChIInChI=1S/C13H10N2O5/c1-19-8-4-2-3-7(5-8)9-6-20-11-10(9)14-13(17)15(18)12(11)16/h2-6,18H,1H3,(H,14,17)
InChIKeyAXJFPTUZOOOBQK-UHFFFAOYSA-N
MW274.23 g/mol
LogP1.20
Rot. Bonds2

About 3-hydroxy-7-(3-methoxyphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione

3-hydroxy-7-(3-methoxyphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione (PubChem CID 11701788) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 3-hydroxy-7-(3-methoxyphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-hydroxy-7-(3-methoxyphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione
PubChem CID11701788
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name3-hydroxy-7-(3-methoxyphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione
SMILESCOc1cccc(-c2coc3c(=O)n(O)c(=O)[nH]c23)c1
InChIInChI=1S/C13H10N2O5/c1-19-8-4-2-3-7(5-8)9-6-20-11-10(9)14-13(17)15(18)12(11)16/h2-6,18H,1H3,(H,14,17)
InChIKeyAXJFPTUZOOOBQK-UHFFFAOYSA-N
XLogP1.20
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-(3-methoxyphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-hydroxy-7-(3-methoxyphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione (CID 11701788) is 3-hydroxy-7-(3-methoxyphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-hydroxy-7-(3-methoxyphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-hydroxy-7-(3-methoxyphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione is COc1cccc(-c2coc3c(=O)n(O)c(=O)[nH]c23)c1.
What is the InChIKey of 3-hydroxy-7-(3-methoxyphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is AXJFPTUZOOOBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c1-19-8-4-2-3-7(5-8)9-6-20-11-10(9)14-13(17)15(18)12(11)16/h2-6,18H,1H3,(H,14,17).
What are the key properties of 3-hydroxy-7-(3-methoxyphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione?
3-hydroxy-7-(3-methoxyphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 274.23 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-(3-methoxyphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11701788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).