5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide

C13H16N4O4 — CID 63810910

IUPAC5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
SMILESCCn1ccc(=O)n(Cc2cc(C(=O)NN)c(C)o2)c1=O
InChIInChI=1S/C13H16N4O4/c1-3-16-5-4-11(18)17(13(16)20)7-9-6-10(8(2)21-9)12(19)15-14/h4-6H,3,7,14H2,1-2H3,(H,15,19)
InChIKeyITSQTORTPSCINH-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.42
Rot. Bonds4

About 5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide

5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide (PubChem CID 63810910) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
PubChem CID63810910
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
SMILESCCn1ccc(=O)n(Cc2cc(C(=O)NN)c(C)o2)c1=O
InChIInChI=1S/C13H16N4O4/c1-3-16-5-4-11(18)17(13(16)20)7-9-6-10(8(2)21-9)12(19)15-14/h4-6H,3,7,14H2,1-2H3,(H,15,19)
InChIKeyITSQTORTPSCINH-UHFFFAOYSA-N
XLogP-0.42
TPSA112.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 63812364
5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 80582970
2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
CID 55214458
2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 55213052
4-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733693
3-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]benzohydrazide
CID 63810746
2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide
CID 115912145
5-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 55214030
2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 63581489
5-[(6-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63578845
5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 114655508
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63574155

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide (CID 63810910) is 5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide is CCn1ccc(=O)n(Cc2cc(C(=O)NN)c(C)o2)c1=O.
What is the InChIKey of 5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is ITSQTORTPSCINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-3-16-5-4-11(18)17(13(16)20)7-9-6-10(8(2)21-9)12(19)15-14/h4-6H,3,7,14H2,1-2H3,(H,15,19).
What are the key properties of 5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 292.30 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 63810910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).