5-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C11H8Cl2N4O3 — CID 135455380

IUPAC5-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N\Nc2cc(Cl)ccc2Cl)c(=O)[nH]1
InChIInChI=1S/C11H8Cl2N4O3/c12-5-1-2-7(13)8(3-5)17-14-4-6-9(18)15-11(20)16-10(6)19/h1-4,17H,(H3,15,16,18,19,20)/b14-4-
InChIKeySMDWATRBPXQENT-CPSFFCFKSA-N
MW315.12 g/mol
LogP1.52
Rot. Bonds3

About 5-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 135455380) has the molecular formula C11H8Cl2N4O3 and a molecular weight of 315.12 g/mol. Its IUPAC name is 5-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID135455380
Molecular FormulaC11H8Cl2N4O3
Molecular Weight315.12 g/mol
Exact Mass314.00
IUPAC Name5-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N\Nc2cc(Cl)ccc2Cl)c(=O)[nH]1
InChIInChI=1S/C11H8Cl2N4O3/c12-5-1-2-7(13)8(3-5)17-14-4-6-9(18)15-11(20)16-10(6)19/h1-4,17H,(H3,15,16,18,19,20)/b14-4-
InChIKeySMDWATRBPXQENT-CPSFFCFKSA-N
XLogP1.52
TPSA110.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-5-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione
CID 135603857
6-hydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
CID 135455301
5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 135455393
6-hydroxy-5-[[(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione
CID 137172508
2-(4-bromo-2,3-dimethylphenyl)-4-[[(2,5-dichlorophenyl)hydrazinylidene]methyl]-5-methyl-1H-pyrazol-3-one
CID 137073354
5-[(E)-(4,6-dichloro-1,3-benzothiazol-2-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 135657880
5-[[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-nitrophenyl]hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 137172517
N-butyl-N-ethyl-2-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 137172506
5-[(3,5-difluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 2288826
5-[(Z)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 137273054
5-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 135580287
6-hydroxy-5-[[4-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]phenoxy]phenyl]iminomethyl]-1H-pyrimidine-2,4-dione
CID 4092805

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 135455380) is 5-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(/C=N\Nc2cc(Cl)ccc2Cl)c(=O)[nH]1.
What is the InChIKey of 5-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is SMDWATRBPXQENT-CPSFFCFKSA-N. The full InChI is InChI=1S/C11H8Cl2N4O3/c12-5-1-2-7(13)8(3-5)17-14-4-6-9(18)15-11(20)16-10(6)19/h1-4,17H,(H3,15,16,18,19,20)/b14-4-.
What are the key properties of 5-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 315.12 g/mol, XLogP of 1.52, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135455380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).