1-(2-chlorophenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione

C19H16ClN3O4 — CID 137075008

IUPAC1-(2-chlorophenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCOc1ccc(/N=C/c2c(O)n(-c3ccccc3Cl)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H16ClN3O4/c1-2-27-13-9-7-12(8-10-13)21-11-14-17(24)22-19(26)23(18(14)25)16-6-4-3-5-15(16)20/h3-11,25H,2H2,1H3,(H,22,24,26)/b21-11+
InChIKeyCPTDHARYCJLXDJ-SRZZPIQSSA-N
MW385.81 g/mol
LogP3.03
Rot. Bonds5

About 1-(2-chlorophenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione

1-(2-chlorophenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 137075008) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID137075008
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Name1-(2-chlorophenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCOc1ccc(/N=C/c2c(O)n(-c3ccccc3Cl)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H16ClN3O4/c1-2-27-13-9-7-12(8-10-13)21-11-14-17(24)22-19(26)23(18(14)25)16-6-4-3-5-15(16)20/h3-11,25H,2H2,1H3,(H,22,24,26)/b21-11+
InChIKeyCPTDHARYCJLXDJ-SRZZPIQSSA-N
XLogP3.03
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 1379774
5-[(4-chloro-3-nitrophenyl)iminomethyl]-1-(2-chlorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 137074698
2-chloro-N-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
CID 2024283
5-[(2-ethoxyphenyl)iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 135784312
1-(2-chlorophenyl)-6-hydroxy-5-[(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione
CID 4288914
1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844562
1-(2-chlorophenyl)-6-hydroxy-5-[(E)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]pyrimidine-2,4-dione
CID 135749674
5-[(4-acetylphenyl)iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 137070532
1-(2,3-dimethylphenyl)-6-hydroxy-5-[(4-iodophenyl)iminomethyl]pyrimidine-2,4-dione
CID 135571552
[(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea
CID 135717075
1-(2-chlorophenyl)-5-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 137074188
4-[(4-ethoxyphenyl)iminomethyl]-3-hydroxy-2-(4-methylphenyl)isoquinolin-1-one
CID 3257363

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(2-chlorophenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione (CID 137075008) is 1-(2-chlorophenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(2-chlorophenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione is CCOc1ccc(/N=C/c2c(O)n(-c3ccccc3Cl)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is CPTDHARYCJLXDJ-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c1-2-27-13-9-7-12(8-10-13)21-11-14-17(24)22-19(26)23(18(14)25)16-6-4-3-5-15(16)20/h3-11,25H,2H2,1H3,(H,22,24,26)/b21-11+.
What are the key properties of 1-(2-chlorophenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
1-(2-chlorophenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 385.81 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 137075008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).