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

C19H17N3O3 — CID 582523

IUPAC6-hydroxy-1-(2-methylphenyl)-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCc1cccc(/N=C/c2c(O)n(-c3ccccc3C)c(=O)[nH]c2=O)c1
InChIInChI=1S/C19H17N3O3/c1-12-6-5-8-14(10-12)20-11-15-17(23)21-19(25)22(18(15)24)16-9-4-3-7-13(16)2/h3-11,24H,1-2H3,(H,21,23,25)/b20-11+
InChIKeyNESZVISAXAEERM-RGVLZGJSSA-N
MW335.36 g/mol
LogP2.60
Rot. Bonds3

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

6-hydroxy-1-(2-methylphenyl)-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 582523) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 6-hydroxy-1-(2-methylphenyl)-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(2-methylphenyl)-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione
PubChem CID582523
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name6-hydroxy-1-(2-methylphenyl)-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCc1cccc(/N=C/c2c(O)n(-c3ccccc3C)c(=O)[nH]c2=O)c1
InChIInChI=1S/C19H17N3O3/c1-12-6-5-8-14(10-12)20-11-15-17(23)21-19(25)22(18(15)24)16-9-4-3-7-13(16)2/h3-11,24H,1-2H3,(H,21,23,25)/b20-11+
InChIKeyNESZVISAXAEERM-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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Related Compounds

(5E)-6-hydroxy-3-(3-methylphenyl)-5-({[2-(piperidin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 1947637
(5E)-1-(4-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135469945
(5Z)-5-(1H-indol-3-ylmethylidene)-1-(naphthalen-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 135438774
(5Z)-5-(1H-indol-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
CID 135458887
5-(Aminomethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione
CID 288290
(5Z)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(naphthalen-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 658998
5-[[4-(Diethylamino)anilino]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 659624
(5E)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 659765
(5Z)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-1,3-diazinane-2,4,6-trione
CID 662574
5-[3-(Diethylamino)propyliminomethyl]-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 665243
N-methyl-4-({(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)benzenesulfonamide
CID 1087263
1-(3-methylphenyl)-5-[(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-ylamino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1114794

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(2-methylphenyl)-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(2-methylphenyl)-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione (CID 582523) is 6-hydroxy-1-(2-methylphenyl)-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(2-methylphenyl)-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(2-methylphenyl)-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione is Cc1cccc(/N=C/c2c(O)n(-c3ccccc3C)c(=O)[nH]c2=O)c1.
What is the InChIKey of 6-hydroxy-1-(2-methylphenyl)-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is NESZVISAXAEERM-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-6-5-8-14(10-12)20-11-15-17(23)21-19(25)22(18(15)24)16-9-4-3-7-13(16)2/h3-11,24H,1-2H3,(H,21,23,25)/b20-11+.
What are the key properties of 6-hydroxy-1-(2-methylphenyl)-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione?
6-hydroxy-1-(2-methylphenyl)-5-[(3-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-(2-methylphenyl)-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 582523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).