5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide

C11H11BrN4O3 — CID 66310867

IUPAC5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(Cn2cncc(Br)c2=O)cc1C(=O)NN
InChIInChI=1S/C11H11BrN4O3/c1-6-8(10(17)15-13)2-7(19-6)4-16-5-14-3-9(12)11(16)18/h2-3,5H,4,13H2,1H3,(H,15,17)
InChIKeyRGAOTOMRYORJGC-UHFFFAOYSA-N
MW327.14 g/mol
LogP0.56
Rot. Bonds3

About 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide

5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide (PubChem CID 66310867) has the molecular formula C11H11BrN4O3 and a molecular weight of 327.14 g/mol. Its IUPAC name is 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
PubChem CID66310867
Molecular FormulaC11H11BrN4O3
Molecular Weight327.14 g/mol
Exact Mass326.00
IUPAC Name5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(Cn2cncc(Br)c2=O)cc1C(=O)NN
InChIInChI=1S/C11H11BrN4O3/c1-6-8(10(17)15-13)2-7(19-6)4-16-5-14-3-9(12)11(16)18/h2-3,5H,4,13H2,1H3,(H,15,17)
InChIKeyRGAOTOMRYORJGC-UHFFFAOYSA-N
XLogP0.56
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 50.56
H-Bond Donors ≤ 52
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'}

Analyze 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide 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

2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 63581489
2-[(5-bromo-6-oxopyrimidin-1-yl)methyl]benzohydrazide
CID 66310221
5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 80582970
2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 55213052
2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
CID 55214458
5-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 55214030
2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
CID 63569059
5-[(3,5-diethylpyrazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 82699513
2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide
CID 115912145
5-[(3-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63578350
5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63810910
5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 114655508

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide (CID 66310867) is 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide is Cc1oc(Cn2cncc(Br)c2=O)cc1C(=O)NN.
What is the InChIKey of 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is RGAOTOMRYORJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O3/c1-6-8(10(17)15-13)2-7(19-6)4-16-5-14-3-9(12)11(16)18/h2-3,5H,4,13H2,1H3,(H,15,17).
What are the key properties of 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 327.14 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 66310867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).