4-(4-hydroxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione

C12H10N2O4 — CID 3230407

IUPAC4-(4-hydroxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESO=C1NC2=C(C(=O)OC2)C(c2ccc(O)cc2)N1
InChIInChI=1S/C12H10N2O4/c15-7-3-1-6(2-4-7)10-9-8(5-18-11(9)16)13-12(17)14-10/h1-4,10,15H,5H2,(H2,13,14,17)
InChIKeyKWPMBTSYASDSJL-UHFFFAOYSA-N
MW246.22 g/mol
LogP0.56
Rot. Bonds1

About 4-(4-hydroxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione

4-(4-hydroxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione (PubChem CID 3230407) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
PubChem CID3230407
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name4-(4-hydroxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESO=C1NC2=C(C(=O)OC2)C(c2ccc(O)cc2)N1
InChIInChI=1S/C12H10N2O4/c15-7-3-1-6(2-4-7)10-9-8(5-18-11(9)16)13-12(17)14-10/h1-4,10,15H,5H2,(H2,13,14,17)
InChIKeyKWPMBTSYASDSJL-UHFFFAOYSA-N
XLogP0.56
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 4-(4-hydroxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione (CID 3230407) is 4-(4-hydroxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-(4-hydroxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 4-(4-hydroxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione is O=C1NC2=C(C(=O)OC2)C(c2ccc(O)cc2)N1.
What is the InChIKey of 4-(4-hydroxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione?
The InChIKey is KWPMBTSYASDSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-7-3-1-6(2-4-7)10-9-8(5-18-11(9)16)13-12(17)14-10/h1-4,10,15H,5H2,(H2,13,14,17).
What are the key properties of 4-(4-hydroxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione?
4-(4-hydroxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione has a molecular weight of 246.22 g/mol, XLogP of 0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 3230407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).