5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide

C13H16N4O4 — CID 66328558

IUPAC5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
SMILESCCc1cn(Cc2cc(C)c(C(=O)NN)o2)c(=O)[nH]c1=O
InChIInChI=1S/C13H16N4O4/c1-3-8-5-17(13(20)15-11(8)18)6-9-4-7(2)10(21-9)12(19)16-14/h4-5H,3,6,14H2,1-2H3,(H,16,19)(H,15,18,20)
InChIKeyMTVNPASQBGKSPK-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.35
Rot. Bonds4

About 5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide

5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide (PubChem CID 66328558) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
PubChem CID66328558
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
SMILESCCc1cn(Cc2cc(C)c(C(=O)NN)o2)c(=O)[nH]c1=O
InChIInChI=1S/C13H16N4O4/c1-3-8-5-17(13(20)15-11(8)18)6-9-4-7(2)10(21-9)12(19)16-14/h4-5H,3,6,14H2,1-2H3,(H,16,19)(H,15,18,20)
InChIKeyMTVNPASQBGKSPK-UHFFFAOYSA-N
XLogP-0.35
TPSA123.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 66328136
5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 63557187
5-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-dione
CID 66330134
3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 63578343
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63572468
3-methyl-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carbohydrazide
CID 63581869
4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63579238
5-(2-ethoxyethoxymethyl)-3-methylfuran-2-carbohydrazide
CID 63588542
5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 55213233
5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide
CID 63571130
3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide
CID 65366701
3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide
CID 63581814

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide?
The IUPAC name of 5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide (CID 66328558) is 5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide.
What is the SMILES notation for 5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide?
The canonical SMILES for 5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide is CCc1cn(Cc2cc(C)c(C(=O)NN)o2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide?
The InChIKey is MTVNPASQBGKSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-3-8-5-17(13(20)15-11(8)18)6-9-4-7(2)10(21-9)12(19)16-14/h4-5H,3,6,14H2,1-2H3,(H,16,19)(H,15,18,20).
What are the key properties of 5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide?
5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide has a molecular weight of 292.30 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide is sourced from PubChem (CID 66328558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).