4-methyl-2-[(2E)-2-[(5-nitrofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

C10H9N5O4 — CID 135909037

IUPAC4-methyl-2-[(2E)-2-[(5-nitrofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2coc([N+](=O)[O-])c2)n1
InChIInChI=1S/C10H9N5O4/c1-6-2-8(16)13-10(12-6)14-11-4-7-3-9(15(17)18)19-5-7/h2-5H,1H3,(H2,12,13,14,16)/b11-4+
InChIKeyOLXULTOCTOIKFO-NYYWCZLTSA-N
MW263.21 g/mol
LogP1.03
Rot. Bonds4

About 4-methyl-2-[(2E)-2-[(5-nitrofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

4-methyl-2-[(2E)-2-[(5-nitrofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 135909037) has the molecular formula C10H9N5O4 and a molecular weight of 263.21 g/mol. Its IUPAC name is 4-methyl-2-[(2E)-2-[(5-nitrofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2E)-2-[(5-nitrofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
PubChem CID135909037
Molecular FormulaC10H9N5O4
Molecular Weight263.21 g/mol
Exact Mass263.07
IUPAC Name4-methyl-2-[(2E)-2-[(5-nitrofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2coc([N+](=O)[O-])c2)n1
InChIInChI=1S/C10H9N5O4/c1-6-2-8(16)13-10(12-6)14-11-4-7-3-9(15(17)18)19-5-7/h2-5H,1H3,(H2,12,13,14,16)/b11-4+
InChIKeyOLXULTOCTOIKFO-NYYWCZLTSA-N
XLogP1.03
TPSA126.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 86207768
4-methyl-2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135454398
2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135460312
2-[(2Z)-2-[(3,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136787031
2-[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135691059
2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135509497
4-methyl-2-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135457178
2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135747235
2-[(2Z)-2-[(3,4-difluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135722664
N-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide
CID 135509500
4-methyl-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135512705
2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135421727

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2E)-2-[(5-nitrofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2E)-2-[(5-nitrofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (CID 135909037) is 4-methyl-2-[(2E)-2-[(5-nitrofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2E)-2-[(5-nitrofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2E)-2-[(5-nitrofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C/c2coc([N+](=O)[O-])c2)n1.
What is the InChIKey of 4-methyl-2-[(2E)-2-[(5-nitrofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is OLXULTOCTOIKFO-NYYWCZLTSA-N. The full InChI is InChI=1S/C10H9N5O4/c1-6-2-8(16)13-10(12-6)14-11-4-7-3-9(15(17)18)19-5-7/h2-5H,1H3,(H2,12,13,14,16)/b11-4+.
What are the key properties of 4-methyl-2-[(2E)-2-[(5-nitrofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
4-methyl-2-[(2E)-2-[(5-nitrofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 263.21 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2E)-2-[(5-nitrofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135909037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).