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

C12H14N4O4 — CID 63812364

IUPAC2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCc1oc(Cn2c(=O)ccn(C)c2=O)cc1C(=O)NN
InChIInChI=1S/C12H14N4O4/c1-7-9(11(18)14-13)5-8(20-7)6-16-10(17)3-4-15(2)12(16)19/h3-5H,6,13H2,1-2H3,(H,14,18)
InChIKeyBICIRWUNWJUBIX-UHFFFAOYSA-N
MW278.27 g/mol
LogP-0.90
Rot. Bonds3

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

2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63812364) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63812364
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCc1oc(Cn2c(=O)ccn(C)c2=O)cc1C(=O)NN
InChIInChI=1S/C12H14N4O4/c1-7-9(11(18)14-13)5-8(20-7)6-16-10(17)3-4-15(2)12(16)19/h3-5H,6,13H2,1-2H3,(H,14,18)
InChIKeyBICIRWUNWJUBIX-UHFFFAOYSA-N
XLogP-0.90
TPSA112.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.90
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

5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63810910
5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 63812365
5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63812522
2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
CID 55214458
5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 80582970
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
2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 55213052
5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 114655508
2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
CID 63569059
2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide
CID 115912145
5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63572070

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide (CID 63812364) is 2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide is Cc1oc(Cn2c(=O)ccn(C)c2=O)cc1C(=O)NN.
What is the InChIKey of 2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is BICIRWUNWJUBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-7-9(11(18)14-13)5-8(20-7)6-16-10(17)3-4-15(2)12(16)19/h3-5H,6,13H2,1-2H3,(H,14,18).
What are the key properties of 2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide?
2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 278.27 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63812364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).