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

C11H7Cl3N4O3 — CID 135603857

IUPAC6-hydroxy-5-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1
InChIInChI=1S/C11H7Cl3N4O3/c12-4-1-6(13)8(7(14)2-4)18-15-3-5-9(19)16-11(21)17-10(5)20/h1-3,18H,(H3,16,17,19,20,21)/b15-3+
InChIKeyKWCPIQGMGSYTIO-CRKCGEKBSA-N
MW349.56 g/mol
LogP2.17
Rot. Bonds3

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

6-hydroxy-5-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 135603857) has the molecular formula C11H7Cl3N4O3 and a molecular weight of 349.56 g/mol. Its IUPAC name is 6-hydroxy-5-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione
PubChem CID135603857
Molecular FormulaC11H7Cl3N4O3
Molecular Weight349.56 g/mol
Exact Mass347.96
IUPAC Name6-hydroxy-5-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1
InChIInChI=1S/C11H7Cl3N4O3/c12-4-1-6(13)8(7(14)2-4)18-15-3-5-9(19)16-11(21)17-10(5)20/h1-3,18H,(H3,16,17,19,20,21)/b15-3+
InChIKeyKWCPIQGMGSYTIO-CRKCGEKBSA-N
XLogP2.17
TPSA110.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.56
LogP ≤ 52.17
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

5-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 135455380
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
5-[(E)-(4,6-dichloro-1,3-benzothiazol-2-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 135657880
4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 2841375
5-[(3,5-difluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 2288826
6-hydroxy-5-[[(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione
CID 137172508
4-bromo-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135576325
4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136705021
2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135717168
3,4-dibromo-6-methoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 3662486
5-[(3,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 2286598

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione (CID 135603857) is 6-hydroxy-5-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-5-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is KWCPIQGMGSYTIO-CRKCGEKBSA-N. The full InChI is InChI=1S/C11H7Cl3N4O3/c12-4-1-6(13)8(7(14)2-4)18-15-3-5-9(19)16-11(21)17-10(5)20/h1-3,18H,(H3,16,17,19,20,21)/b15-3+.
What are the key properties of 6-hydroxy-5-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 349.56 g/mol, XLogP of 2.17, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135603857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).