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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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).