5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione

C16H18N4O5 — CID 121025767

IUPAC5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)N1CCN(C(=O)c2c[nH]c(=O)n(Cc3ccco3)c2=O)CC1
InChIInChI=1S/C16H18N4O5/c1-11(21)18-4-6-19(7-5-18)14(22)13-9-17-16(24)20(15(13)23)10-12-3-2-8-25-12/h2-3,8-9H,4-7,10H2,1H3,(H,17,24)
InChIKeyHIIYDPVTUIXBLS-UHFFFAOYSA-N
MW346.34 g/mol
LogP-0.52
Rot. Bonds3

About 5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione

5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 121025767) has the molecular formula C16H18N4O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is 5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID121025767
Molecular FormulaC16H18N4O5
Molecular Weight346.34 g/mol
Exact Mass346.13
IUPAC Name5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)N1CCN(C(=O)c2c[nH]c(=O)n(Cc3ccco3)c2=O)CC1
InChIInChI=1S/C16H18N4O5/c1-11(21)18-4-6-19(7-5-18)14(22)13-9-17-16(24)20(15(13)23)10-12-3-2-8-25-12/h2-3,8-9H,4-7,10H2,1H3,(H,17,24)
InChIKeyHIIYDPVTUIXBLS-UHFFFAOYSA-N
XLogP-0.52
TPSA108.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-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

Related Compounds

4-[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 121025857
5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121025855
5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121026137
5-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 122279514
N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025792
N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025685
3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide
CID 121025718
N-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025715
N-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025966
3-(furan-2-ylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 71778379
N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025706
5-(piperidine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121025993

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione (CID 121025767) is 5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione is CC(=O)N1CCN(C(=O)c2c[nH]c(=O)n(Cc3ccco3)c2=O)CC1.
What is the InChIKey of 5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is HIIYDPVTUIXBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5/c1-11(21)18-4-6-19(7-5-18)14(22)13-9-17-16(24)20(15(13)23)10-12-3-2-8-25-12/h2-3,8-9H,4-7,10H2,1H3,(H,17,24).
What are the key properties of 5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione?
5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 346.34 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 121025767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).