5-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one

C12H10N6O6 — CID 135455298

IUPAC5-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)[nH]1
InChIInChI=1S/C12H10N6O6/c1-6-14-11(19)8(12(20)15-6)5-13-16-9-3-2-7(17(21)22)4-10(9)18(23)24/h2-5,16H,1H3,(H2,14,15,19,20)/b13-5-
InChIKeyAKSXEKUPKDZQGA-ACAGNQJTSA-N
MW334.25 g/mol
LogP1.05
Rot. Bonds5

About 5-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one

5-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 135455298) has the molecular formula C12H10N6O6 and a molecular weight of 334.25 g/mol. Its IUPAC name is 5-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
PubChem CID135455298
Molecular FormulaC12H10N6O6
Molecular Weight334.25 g/mol
Exact Mass334.07
IUPAC Name5-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)[nH]1
InChIInChI=1S/C12H10N6O6/c1-6-14-11(19)8(12(20)15-6)5-13-16-9-3-2-7(17(21)22)4-10(9)18(23)24/h2-5,16H,1H3,(H2,14,15,19,20)/b13-5-
InChIKeyAKSXEKUPKDZQGA-ACAGNQJTSA-N
XLogP1.05
TPSA176.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

5-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 135580287
N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline
CID 3936149
N-[(Z)-(3,5-dimethyl-1,2-thiazol-4-yl)methylideneamino]-2,4-dinitroaniline
CID 6185581
N-[(E)-(10-methylanthracen-9-yl)methylideneamino]-2,4-dinitroaniline
CID 126009433
5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione
CID 137074553
4-chloro-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3,5-dimethyl-6-nitrophenol
CID 136782887
2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol
CID 137129355
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135442992
N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]-2,4-dinitroaniline
CID 9016165
4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 3525992
N-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-2,4-dinitroaniline
CID 9194780

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one (CID 135455298) is 5-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one is Cc1nc(O)c(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)[nH]1.
What is the InChIKey of 5-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is AKSXEKUPKDZQGA-ACAGNQJTSA-N. The full InChI is InChI=1S/C12H10N6O6/c1-6-14-11(19)8(12(20)15-6)5-13-16-9-3-2-7(17(21)22)4-10(9)18(23)24/h2-5,16H,1H3,(H2,14,15,19,20)/b13-5-.
What are the key properties of 5-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
5-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 334.25 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135455298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).