5-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carbohydrazide

C12H14N4O4 — CID 79374701

IUPAC5-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carbohydrazide
SMILESCOc1nc(C)cc(=O)n1Cc1ccc(C(=O)NN)o1
InChIInChI=1S/C12H14N4O4/c1-7-5-10(17)16(12(14-7)19-2)6-8-3-4-9(20-8)11(18)15-13/h3-5H,6,13H2,1-2H3,(H,15,18)
InChIKeyAYFCIZOKUIQQGR-UHFFFAOYSA-N
MW278.27 g/mol
LogP-0.19
Rot. Bonds4

About 5-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carbohydrazide

5-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 79374701) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 5-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carbohydrazide
PubChem CID79374701
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name5-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carbohydrazide
SMILESCOc1nc(C)cc(=O)n1Cc1ccc(C(=O)NN)o1
InChIInChI=1S/C12H14N4O4/c1-7-5-10(17)16(12(14-7)19-2)6-8-3-4-9(20-8)11(18)15-13/h3-5H,6,13H2,1-2H3,(H,15,18)
InChIKeyAYFCIZOKUIQQGR-UHFFFAOYSA-N
XLogP-0.19
TPSA112.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.19
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

2-methoxy-6-methyl-3-[(5-nitrofuran-2-yl)methyl]pyrimidin-4-one
CID 79376118
2-methoxy-6-methyl-3-[(4-trimethylsilylphenyl)methyl]pyrimidin-4-one
CID 103438566
1-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 79371593
5-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide
CID 55213097
[2-fluoro-5-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]phenyl]boronic acid
CID 79370901
N-carbamoyl-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 79375686
ethyl 4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-3-oxobutanoate
CID 79375094
3-[(3-bromophenyl)methyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79374323
3-[(6-amino-2-pyridinyl)methyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79374827
5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbohydrazide
CID 63572812
3-(3,3-dimethyl-2-oxobutyl)-2-methoxy-6-methylpyrimidin-4-one
CID 79374027
2-methoxy-6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one
CID 79375942

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carbohydrazide (CID 79374701) is 5-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carbohydrazide is COc1nc(C)cc(=O)n1Cc1ccc(C(=O)NN)o1.
What is the InChIKey of 5-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is AYFCIZOKUIQQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-7-5-10(17)16(12(14-7)19-2)6-8-3-4-9(20-8)11(18)15-13/h3-5H,6,13H2,1-2H3,(H,15,18).
What are the key properties of 5-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carbohydrazide?
5-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 278.27 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 79374701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).