6-hydroxy-1-(3-methylphenyl)-5-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrimidine-2,4-dione

C23H24N4O5S — CID 1087264

IUPAC6-hydroxy-1-(3-methylphenyl)-5-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(O)c(/C=N/c3ccc(S(=O)(=O)N4CCCCC4)cc3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C23H24N4O5S/c1-16-6-5-7-18(14-16)27-22(29)20(21(28)25-23(27)30)15-24-17-8-10-19(11-9-17)33(31,32)26-12-3-2-4-13-26/h5-11,14-15,29H,2-4,12-13H2,1H3,(H,25,28,30)/b24-15+
InChIKeyWESOBYAAMKZDLK-BUVRLJJBSA-N
MW468.54 g/mol
LogP2.47
Rot. Bonds5

About 6-hydroxy-1-(3-methylphenyl)-5-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrimidine-2,4-dione

6-hydroxy-1-(3-methylphenyl)-5-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 1087264) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is 6-hydroxy-1-(3-methylphenyl)-5-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(3-methylphenyl)-5-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrimidine-2,4-dione
PubChem CID1087264
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC Name6-hydroxy-1-(3-methylphenyl)-5-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(O)c(/C=N/c3ccc(S(=O)(=O)N4CCCCC4)cc3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C23H24N4O5S/c1-16-6-5-7-18(14-16)27-22(29)20(21(28)25-23(27)30)15-24-17-8-10-19(11-9-17)33(31,32)26-12-3-2-4-13-26/h5-11,14-15,29H,2-4,12-13H2,1H3,(H,25,28,30)/b24-15+
InChIKeyWESOBYAAMKZDLK-BUVRLJJBSA-N
XLogP2.47
TPSA124.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-1-(3-methylphenyl)-5-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(3-methylphenyl)-5-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrimidine-2,4-dione (CID 1087264) is 6-hydroxy-1-(3-methylphenyl)-5-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(3-methylphenyl)-5-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(3-methylphenyl)-5-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrimidine-2,4-dione is Cc1cccc(-n2c(O)c(/C=N/c3ccc(S(=O)(=O)N4CCCCC4)cc3)c(=O)[nH]c2=O)c1.
What is the InChIKey of 6-hydroxy-1-(3-methylphenyl)-5-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is WESOBYAAMKZDLK-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-16-6-5-7-18(14-16)27-22(29)20(21(28)25-23(27)30)15-24-17-8-10-19(11-9-17)33(31,32)26-12-3-2-4-13-26/h5-11,14-15,29H,2-4,12-13H2,1H3,(H,25,28,30)/b24-15+.
What are the key properties of 6-hydroxy-1-(3-methylphenyl)-5-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrimidine-2,4-dione?
6-hydroxy-1-(3-methylphenyl)-5-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 468.54 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(3-methylphenyl)-5-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 1087264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).