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

C19H17N3O3 — CID 630647

IUPAC6-hydroxy-1-(4-methylphenyl)-5-[(4-methylphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCc1ccc(/N=C/c2c(O)n(-c3ccc(C)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H17N3O3/c1-12-3-7-14(8-4-12)20-11-16-17(23)21-19(25)22(18(16)24)15-9-5-13(2)6-10-15/h3-11,24H,1-2H3,(H,21,23,25)/b20-11+
InChIKeyLSVFAJQKZWFBSC-RGVLZGJSSA-N
MW335.36 g/mol
LogP2.60
Rot. Bonds3

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

6-hydroxy-1-(4-methylphenyl)-5-[(4-methylphenyl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 630647) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 6-hydroxy-1-(4-methylphenyl)-5-[(4-methylphenyl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(4-methylphenyl)-5-[(4-methylphenyl)iminomethyl]pyrimidine-2,4-dione
PubChem CID630647
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name6-hydroxy-1-(4-methylphenyl)-5-[(4-methylphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCc1ccc(/N=C/c2c(O)n(-c3ccc(C)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H17N3O3/c1-12-3-7-14(8-4-12)20-11-16-17(23)21-19(25)22(18(16)24)15-9-5-13(2)6-10-15/h3-11,24H,1-2H3,(H,21,23,25)/b20-11+
InChIKeyLSVFAJQKZWFBSC-RGVLZGJSSA-N
XLogP2.60
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-methylphenyl)-5-[(4-methylphenyl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(4-methylphenyl)-5-[(4-methylphenyl)iminomethyl]pyrimidine-2,4-dione (CID 630647) is 6-hydroxy-1-(4-methylphenyl)-5-[(4-methylphenyl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(4-methylphenyl)-5-[(4-methylphenyl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(4-methylphenyl)-5-[(4-methylphenyl)iminomethyl]pyrimidine-2,4-dione is Cc1ccc(/N=C/c2c(O)n(-c3ccc(C)cc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-1-(4-methylphenyl)-5-[(4-methylphenyl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is LSVFAJQKZWFBSC-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-3-7-14(8-4-12)20-11-16-17(23)21-19(25)22(18(16)24)15-9-5-13(2)6-10-15/h3-11,24H,1-2H3,(H,21,23,25)/b20-11+.
What are the key properties of 6-hydroxy-1-(4-methylphenyl)-5-[(4-methylphenyl)iminomethyl]pyrimidine-2,4-dione?
6-hydroxy-1-(4-methylphenyl)-5-[(4-methylphenyl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 335.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(4-methylphenyl)-5-[(4-methylphenyl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 630647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).