2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide

C11H12N4O3 — CID 55213052

IUPAC2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCc1oc(Cn2cccnc2=O)cc1C(=O)NN
InChIInChI=1S/C11H12N4O3/c1-7-9(10(16)14-12)5-8(18-7)6-15-4-2-3-13-11(15)17/h2-5H,6,12H2,1H3,(H,14,16)
InChIKeySMVIFNIOLCKBRS-UHFFFAOYSA-N
MW248.24 g/mol
LogP-0.20
Rot. Bonds3

About 2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide

2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 55213052) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
PubChem CID55213052
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCc1oc(Cn2cccnc2=O)cc1C(=O)NN
InChIInChI=1S/C11H12N4O3/c1-7-9(10(16)14-12)5-8(18-7)6-15-4-2-3-13-11(15)17/h2-5H,6,12H2,1H3,(H,14,16)
InChIKeySMVIFNIOLCKBRS-UHFFFAOYSA-N
XLogP-0.20
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.20
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'}

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Related Compounds

2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carboxylic acid
CID 43477298
2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 63581489
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
5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 114655508
5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63810910
5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 66310867
5-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 55214030
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-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 55249100
2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 63812364

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide (CID 55213052) is 2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide is Cc1oc(Cn2cccnc2=O)cc1C(=O)NN.
What is the InChIKey of 2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is SMVIFNIOLCKBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-7-9(10(16)14-12)5-8(18-7)6-15-4-2-3-13-11(15)17/h2-5H,6,12H2,1H3,(H,14,16).
What are the key properties of 2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide?
2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 248.24 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 55213052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).