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

C15H16N2O6 — CID 3230418

IUPAC4-(3,4,5-trimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESCOc1cc(C2NC(=O)NC3=C2C(=O)OC3)cc(OC)c1OC
InChIInChI=1S/C15H16N2O6/c1-20-9-4-7(5-10(21-2)13(9)22-3)12-11-8(6-23-14(11)18)16-15(19)17-12/h4-5,12H,6H2,1-3H3,(H2,16,17,19)
InChIKeyUZCGXJVYCJBSPO-UHFFFAOYSA-N
MW320.30 g/mol
LogP0.88
Rot. Bonds4

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

4-(3,4,5-trimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione (PubChem CID 3230418) has the molecular formula C15H16N2O6 and a molecular weight of 320.30 g/mol. Its IUPAC name is 4-(3,4,5-trimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-(3,4,5-trimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
PubChem CID3230418
Molecular FormulaC15H16N2O6
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name4-(3,4,5-trimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESCOc1cc(C2NC(=O)NC3=C2C(=O)OC3)cc(OC)c1OC
InChIInChI=1S/C15H16N2O6/c1-20-9-4-7(5-10(21-2)13(9)22-3)12-11-8(6-23-14(11)18)16-15(19)17-12/h4-5,12H,6H2,1-3H3,(H2,16,17,19)
InChIKeyUZCGXJVYCJBSPO-UHFFFAOYSA-N
XLogP0.88
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 4-(3,4,5-trimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione (CID 3230418) is 4-(3,4,5-trimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-(3,4,5-trimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 4-(3,4,5-trimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione is COc1cc(C2NC(=O)NC3=C2C(=O)OC3)cc(OC)c1OC.
What is the InChIKey of 4-(3,4,5-trimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione?
The InChIKey is UZCGXJVYCJBSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6/c1-20-9-4-7(5-10(21-2)13(9)22-3)12-11-8(6-23-14(11)18)16-15(19)17-12/h4-5,12H,6H2,1-3H3,(H2,16,17,19).
What are the key properties of 4-(3,4,5-trimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione?
4-(3,4,5-trimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione has a molecular weight of 320.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 3230418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).