5-[(3-acetylphenyl)iminomethyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione

C19H15N3O4 — CID 877693

IUPAC5-[(3-acetylphenyl)iminomethyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
SMILESCC(=O)c1cccc(/N=C/c2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C19H15N3O4/c1-12(23)13-6-5-7-14(10-13)20-11-16-17(24)21-19(26)22(18(16)25)15-8-3-2-4-9-15/h2-11,25H,1H3,(H,21,24,26)/b20-11+
InChIKeyZKCUSOLPFVZETM-RGVLZGJSSA-N
MW349.35 g/mol
LogP2.18
Rot. Bonds4

About 5-[(3-acetylphenyl)iminomethyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione

5-[(3-acetylphenyl)iminomethyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione (PubChem CID 877693) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 5-[(3-acetylphenyl)iminomethyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-acetylphenyl)iminomethyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
PubChem CID877693
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name5-[(3-acetylphenyl)iminomethyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
SMILESCC(=O)c1cccc(/N=C/c2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C19H15N3O4/c1-12(23)13-6-5-7-14(10-13)20-11-16-17(24)21-19(26)22(18(16)25)15-8-3-2-4-9-15/h2-11,25H,1H3,(H,21,24,26)/b20-11+
InChIKeyZKCUSOLPFVZETM-RGVLZGJSSA-N
XLogP2.18
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.18
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

6-hydroxy-5-[(3-methylphenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione
CID 2840891
5-[(3-acetylphenyl)iminomethyl]-1-(4-fluorophenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one
CID 135784170
methyl 3-[[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate
CID 135784323
5-[(4-acetylphenyl)iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 137070532
3-[[1-(4-bromo-2-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoic acid
CID 137075405
6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione
CID 4124584
1-(3-chlorophenyl)-6-hydroxy-5-[(2-methylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 4583946
6-hydroxy-1-(3-methylphenyl)-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
CID 1202925
6-hydroxy-1-methyl-5-(phenyliminomethyl)pyrimidine-2,4-dione
CID 135703589
1-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 1379781
methyl 2-chloro-5-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate
CID 135628465
[2-chloro-4-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]phenyl] thiocyanate
CID 1226969

Frequently Asked Questions

What is the IUPAC name of 5-[(3-acetylphenyl)iminomethyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 5-[(3-acetylphenyl)iminomethyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione (CID 877693) is 5-[(3-acetylphenyl)iminomethyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3-acetylphenyl)iminomethyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(3-acetylphenyl)iminomethyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione is CC(=O)c1cccc(/N=C/c2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)c1.
What is the InChIKey of 5-[(3-acetylphenyl)iminomethyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The InChIKey is ZKCUSOLPFVZETM-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-12(23)13-6-5-7-14(10-13)20-11-16-17(24)21-19(26)22(18(16)25)15-8-3-2-4-9-15/h2-11,25H,1H3,(H,21,24,26)/b20-11+.
What are the key properties of 5-[(3-acetylphenyl)iminomethyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
5-[(3-acetylphenyl)iminomethyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione has a molecular weight of 349.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-acetylphenyl)iminomethyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 877693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).