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

C11H11FN4O4 — CID 63579238

IUPAC4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H11FN4O4/c1-5-6(2-8(20-5)10(18)15-13)3-16-4-7(12)9(17)14-11(16)19/h2,4H,3,13H2,1H3,(H,15,18)(H,14,17,19)
InChIKeyMPACXNHPQISTTD-UHFFFAOYSA-N
MW282.23 g/mol
LogP-0.77
Rot. Bonds3

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

4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide (PubChem CID 63579238) has the molecular formula C11H11FN4O4 and a molecular weight of 282.23 g/mol. Its IUPAC name is 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
PubChem CID63579238
Molecular FormulaC11H11FN4O4
Molecular Weight282.23 g/mol
Exact Mass282.08
IUPAC Name4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H11FN4O4/c1-5-6(2-8(20-5)10(18)15-13)3-16-4-7(12)9(17)14-11(16)19/h2,4H,3,13H2,1H3,(H,15,18)(H,14,17,19)
InChIKeyMPACXNHPQISTTD-UHFFFAOYSA-N
XLogP-0.77
TPSA123.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 5-0.77
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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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide (CID 63579238) is 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide is Cc1oc(C(=O)NN)cc1Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is MPACXNHPQISTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O4/c1-5-6(2-8(20-5)10(18)15-13)3-16-4-7(12)9(17)14-11(16)19/h2,4H,3,13H2,1H3,(H,15,18)(H,14,17,19).
What are the key properties of 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide?
4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide has a molecular weight of 282.23 g/mol, XLogP of -0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63579238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).