1-(4-bromo-2-ethylphenyl)-5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione

C19H15BrClN3O4 — CID 137073331

IUPAC1-(4-bromo-2-ethylphenyl)-5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCc1cc(Br)ccc1-n1c(O)c(/C=N/c2cc(Cl)ccc2O)c(=O)[nH]c1=O
InChIInChI=1S/C19H15BrClN3O4/c1-2-10-7-11(20)3-5-15(10)24-18(27)13(17(26)23-19(24)28)9-22-14-8-12(21)4-6-16(14)25/h3-9,25,27H,2H2,1H3,(H,23,26,28)/b22-9+
InChIKeyYEADMIGTPYSGEL-LSFURLLWSA-N
MW464.70 g/mol
LogP3.67
Rot. Bonds4

About 1-(4-bromo-2-ethylphenyl)-5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione

1-(4-bromo-2-ethylphenyl)-5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 137073331) has the molecular formula C19H15BrClN3O4 and a molecular weight of 464.70 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylphenyl)-5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenyl)-5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID137073331
Molecular FormulaC19H15BrClN3O4
Molecular Weight464.70 g/mol
Exact Mass462.99
IUPAC Name1-(4-bromo-2-ethylphenyl)-5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCc1cc(Br)ccc1-n1c(O)c(/C=N/c2cc(Cl)ccc2O)c(=O)[nH]c1=O
InChIInChI=1S/C19H15BrClN3O4/c1-2-10-7-11(20)3-5-15(10)24-18(27)13(17(26)23-19(24)28)9-22-14-8-12(21)4-6-16(14)25/h3-9,25,27H,2H2,1H3,(H,23,26,28)/b22-9+
InChIKeyYEADMIGTPYSGEL-LSFURLLWSA-N
XLogP3.67
TPSA107.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.70
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[[1-(4-bromo-2-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-4-methylbenzoic acid
CID 137074723
3-[[1-(4-bromo-2-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoic acid
CID 137075405
1-(4-bromo-2-ethylphenyl)-5-[(1,3-dimethyl-6-nitro-2-oxobenzimidazol-5-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 137073632
1-(4-bromo-2-ethylphenyl)-5-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-hydroxypyrimidine-2,4-dione
CID 137070604
1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 137074733
1-(4-bromo-2-ethylphenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione
CID 137074559
5-[(4-bromo-2-chlorophenyl)iminomethyl]-6-hydroxy-1-methylpyrimidine-2,4-dione
CID 137070567
5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 4992665
1-(4-bromo-2-methylphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 3312623
1-(3-chlorophenyl)-6-hydroxy-5-[(2-methylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 4583946
1-(4-chlorophenyl)-6-hydroxy-5-[(2-methylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844616
1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598971

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenyl)-5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(4-bromo-2-ethylphenyl)-5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione (CID 137073331) is 1-(4-bromo-2-ethylphenyl)-5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-bromo-2-ethylphenyl)-5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(4-bromo-2-ethylphenyl)-5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione is CCc1cc(Br)ccc1-n1c(O)c(/C=N/c2cc(Cl)ccc2O)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-bromo-2-ethylphenyl)-5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is YEADMIGTPYSGEL-LSFURLLWSA-N. The full InChI is InChI=1S/C19H15BrClN3O4/c1-2-10-7-11(20)3-5-15(10)24-18(27)13(17(26)23-19(24)28)9-22-14-8-12(21)4-6-16(14)25/h3-9,25,27H,2H2,1H3,(H,23,26,28)/b22-9+.
What are the key properties of 1-(4-bromo-2-ethylphenyl)-5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
1-(4-bromo-2-ethylphenyl)-5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 464.70 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-ethylphenyl)-5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 137073331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).