6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(4-methylphenyl)pyrimidine-2,4-dione

C19H17N3O4 — CID 2244543

IUPAC6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(4-methylphenyl)pyrimidine-2,4-dione
SMILESCOc1ccc(/N=C/c2c(O)n(-c3ccc(C)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-12-3-7-14(8-4-12)22-18(24)16(17(23)21-19(22)25)11-20-13-5-9-15(26-2)10-6-13/h3-11,24H,1-2H3,(H,21,23,25)/b20-11+
InChIKeyVVGXVYOYIYUWES-RGVLZGJSSA-N
MW351.36 g/mol
LogP2.30
Rot. Bonds4

About 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(4-methylphenyl)pyrimidine-2,4-dione

6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(4-methylphenyl)pyrimidine-2,4-dione (PubChem CID 2244543) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(4-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(4-methylphenyl)pyrimidine-2,4-dione
PubChem CID2244543
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(4-methylphenyl)pyrimidine-2,4-dione
SMILESCOc1ccc(/N=C/c2c(O)n(-c3ccc(C)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-12-3-7-14(8-4-12)22-18(24)16(17(23)21-19(22)25)11-20-13-5-9-15(26-2)10-6-13/h3-11,24H,1-2H3,(H,21,23,25)/b20-11+
InChIKeyVVGXVYOYIYUWES-RGVLZGJSSA-N
XLogP2.30
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.30
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 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(4-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(4-methylphenyl)pyrimidine-2,4-dione (CID 2244543) is 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(4-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(4-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(4-methylphenyl)pyrimidine-2,4-dione is COc1ccc(/N=C/c2c(O)n(-c3ccc(C)cc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(4-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is VVGXVYOYIYUWES-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12-3-7-14(8-4-12)22-18(24)16(17(23)21-19(22)25)11-20-13-5-9-15(26-2)10-6-13/h3-11,24H,1-2H3,(H,21,23,25)/b20-11+.
What are the key properties of 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(4-methylphenyl)pyrimidine-2,4-dione?
6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(4-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 351.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(4-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2244543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).