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

C15H18N4O4 — CID 7080831

IUPAC3-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O
InChIInChI=1S/C15H18N4O4/c1-2-19-13(20)10-12(16-15(19)22)17-5-7-18(8-6-17)14(21)11-4-3-9-23-11/h3-4,9-10H,2,5-8H2,1H3,(H,16,22)
InChIKeyIGWBIEDITXEORK-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.11
Rot. Bonds3

About 3-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione

3-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione (PubChem CID 7080831) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
PubChem CID7080831
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name3-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O
InChIInChI=1S/C15H18N4O4/c1-2-19-13(20)10-12(16-15(19)22)17-5-7-18(8-6-17)14(21)11-4-3-9-23-11/h3-4,9-10H,2,5-8H2,1H3,(H,16,22)
InChIKeyIGWBIEDITXEORK-UHFFFAOYSA-N
XLogP0.11
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-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 3-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione (CID 7080831) is 3-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione is CCn1c(=O)cc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O.
What is the InChIKey of 3-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is IGWBIEDITXEORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-2-19-13(20)10-12(16-15(19)22)17-5-7-18(8-6-17)14(21)11-4-3-9-23-11/h3-4,9-10H,2,5-8H2,1H3,(H,16,22).
What are the key properties of 3-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
3-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 318.33 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 7080831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).