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

C12H14N4O3 — CID 63581489

IUPAC2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCc1cnc(=O)n(Cc2cc(C(=O)NN)c(C)o2)c1
InChIInChI=1S/C12H14N4O3/c1-7-4-14-12(18)16(5-7)6-9-3-10(8(2)19-9)11(17)15-13/h3-5H,6,13H2,1-2H3,(H,15,17)
InChIKeyBKLXKPVTCADPTG-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.10
Rot. Bonds3

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

2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63581489) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63581489
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCc1cnc(=O)n(Cc2cc(C(=O)NN)c(C)o2)c1
InChIInChI=1S/C12H14N4O3/c1-7-4-14-12(18)16(5-7)6-9-3-10(8(2)19-9)11(17)15-13/h3-5H,6,13H2,1-2H3,(H,15,17)
InChIKeyBKLXKPVTCADPTG-UHFFFAOYSA-N
XLogP0.10
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.10
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-carbohydrazide
CID 55213052
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-[(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-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63810910
2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 63812364
5-[(3-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63578350
2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carbohydrazide
CID 63578825
3-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide
CID 63580933
5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 114655508
2,2-dimethyl-3-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide
CID 79631373

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide (CID 63581489) is 2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide is Cc1cnc(=O)n(Cc2cc(C(=O)NN)c(C)o2)c1.
What is the InChIKey of 2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is BKLXKPVTCADPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-4-14-12(18)16(5-7)6-9-3-10(8(2)19-9)11(17)15-13/h3-5H,6,13H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide?
2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 262.27 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63581489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).