3-acetyl-1-methyl-4-phenyl-4,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione

C15H14N2O4 — CID 12924232

IUPAC3-acetyl-1-methyl-4-phenyl-4,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESCC(=O)N1C(=O)N(C)C2=C(C(=O)OC2)C1c1ccccc1
InChIInChI=1S/C15H14N2O4/c1-9(18)17-13(10-6-4-3-5-7-10)12-11(8-21-14(12)19)16(2)15(17)20/h3-7,13H,8H2,1-2H3
InChIKeyRPOKENNBQBKUAT-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.45
Rot. Bonds1

About 3-acetyl-1-methyl-4-phenyl-4,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione

3-acetyl-1-methyl-4-phenyl-4,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione (PubChem CID 12924232) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-acetyl-1-methyl-4-phenyl-4,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name3-acetyl-1-methyl-4-phenyl-4,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
PubChem CID12924232
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-acetyl-1-methyl-4-phenyl-4,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESCC(=O)N1C(=O)N(C)C2=C(C(=O)OC2)C1c1ccccc1
InChIInChI=1S/C15H14N2O4/c1-9(18)17-13(10-6-4-3-5-7-10)12-11(8-21-14(12)19)16(2)15(17)20/h3-7,13H,8H2,1-2H3
InChIKeyRPOKENNBQBKUAT-UHFFFAOYSA-N
XLogP1.45
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-methyl-4-phenyl-4,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 3-acetyl-1-methyl-4-phenyl-4,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione (CID 12924232) is 3-acetyl-1-methyl-4-phenyl-4,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 3-acetyl-1-methyl-4-phenyl-4,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 3-acetyl-1-methyl-4-phenyl-4,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione is CC(=O)N1C(=O)N(C)C2=C(C(=O)OC2)C1c1ccccc1.
What is the InChIKey of 3-acetyl-1-methyl-4-phenyl-4,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The InChIKey is RPOKENNBQBKUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9(18)17-13(10-6-4-3-5-7-10)12-11(8-21-14(12)19)16(2)15(17)20/h3-7,13H,8H2,1-2H3.
What are the key properties of 3-acetyl-1-methyl-4-phenyl-4,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
3-acetyl-1-methyl-4-phenyl-4,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione has a molecular weight of 286.29 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-methyl-4-phenyl-4,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 12924232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).