6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C15H16N4O5 — CID 2149958

IUPAC6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H16N4O5/c20-12-8-10(16-15(23)17-12)9-13(21)18-3-5-19(6-4-18)14(22)11-2-1-7-24-11/h1-2,7-8H,3-6,9H2,(H2,16,17,20,23)
InChIKeyCJIWDQBJEVFAQD-UHFFFAOYSA-N
MW332.32 g/mol
LogP-0.82
Rot. Bonds3

About 6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 2149958) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is 6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID2149958
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Name6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H16N4O5/c20-12-8-10(16-15(23)17-12)9-13(21)18-3-5-19(6-4-18)14(22)11-2-1-7-24-11/h1-2,7-8H,3-6,9H2,(H2,16,17,20,23)
InChIKeyCJIWDQBJEVFAQD-UHFFFAOYSA-N
XLogP-0.82
TPSA119.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 2149958) is 6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is CJIWDQBJEVFAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5/c20-12-8-10(16-15(23)17-12)9-13(21)18-3-5-19(6-4-18)14(22)11-2-1-7-24-11/h1-2,7-8H,3-6,9H2,(H2,16,17,20,23).
What are the key properties of 6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 332.32 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2149958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).