4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

C12H11N5O3 — CID 86207768

IUPAC4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C12H11N5O3/c1-8-6-11(18)15-12(14-8)16-13-7-9-2-4-10(5-3-9)17(19)20/h2-7H,1H3,(H2,14,15,16,18)/b13-7+
InChIKeyNXLMOEWJQMDGNV-NTUHNPAUSA-N
MW273.25 g/mol
LogP1.43
Rot. Bonds4

About 4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 86207768) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
PubChem CID86207768
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C12H11N5O3/c1-8-6-11(18)15-12(14-8)16-13-7-9-2-4-10(5-3-9)17(19)20/h2-7H,1H3,(H2,14,15,16,18)/b13-7+
InChIKeyNXLMOEWJQMDGNV-NTUHNPAUSA-N
XLogP1.43
TPSA113.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135460312
2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135509497
4-methyl-2-[(2E)-2-[(5-nitrofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135909037
4-methyl-2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135454398
4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine
CID 1420807
N-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide
CID 135509500
2-[(2Z)-2-[(3,4-difluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135722664
6-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidine-2,4-dione
CID 3578212
[2-methoxy-4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
CID 136740574
2-[(2Z)-2-(2,3-dihydro-1H-inden-5-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136690088
4-methyl-2-[(2E)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136726343
5-butyl-4-methyl-2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135886831

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (CID 86207768) is 4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C/c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is NXLMOEWJQMDGNV-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H11N5O3/c1-8-6-11(18)15-12(14-8)16-13-7-9-2-4-10(5-3-9)17(19)20/h2-7H,1H3,(H2,14,15,16,18)/b13-7+.
What are the key properties of 4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 273.25 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 86207768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).