6-hydroxy-1-(4-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione

C26H19N3O3 — CID 135469926

IUPAC6-hydroxy-1-(4-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=C3/C(c4ccccc4)=Nc4ccccc43)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C26H19N3O3/c1-16-11-13-18(14-12-16)29-25(31)21(24(30)28-26(29)32)15-20-19-9-5-6-10-22(19)27-23(20)17-7-3-2-4-8-17/h2-15,31H,1H3,(H,28,30,32)/b20-15+
InChIKeyJBMYVXYXEFLERL-HMMYKYKNSA-N
MW421.46 g/mol
LogP4.21
Rot. Bonds3

About 6-hydroxy-1-(4-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione

6-hydroxy-1-(4-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione (PubChem CID 135469926) has the molecular formula C26H19N3O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is 6-hydroxy-1-(4-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(4-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
PubChem CID135469926
Molecular FormulaC26H19N3O3
Molecular Weight421.46 g/mol
Exact Mass421.14
IUPAC Name6-hydroxy-1-(4-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=C3/C(c4ccccc4)=Nc4ccccc43)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C26H19N3O3/c1-16-11-13-18(14-12-16)29-25(31)21(24(30)28-26(29)32)15-20-19-9-5-6-10-22(19)27-23(20)17-7-3-2-4-8-17/h2-15,31H,1H3,(H,28,30,32)/b20-15+
InChIKeyJBMYVXYXEFLERL-HMMYKYKNSA-N
XLogP4.21
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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-[[4-(Diethylamino)anilino]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 659624
5-[(butylamino)methylene]-1-mesityl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2840327
5-(1H-Indol-3-ylmethylene)-2-thioxo-1,3-di-o-tolyl-dihydro-pyrimidine-4,6-dione
CID 135421580
6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-(2-phenylphenyl)pyrimidine-2,4-dione
CID 136152923
(5E)-5-[1-(2,3-dihydro-1H-inden-5-ylamino)ethylidene]-6-hydroxy-3-phenylpyrimidine-2,4(3H,5H)-dione
CID 1409762
(5E)-1-(3-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135458290
5-[(3-Methylanilino)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 582523
5-(1H-indol-3-ylmethylene)-1-(2-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
CID 135403101
(5E)-1-benzyl-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135452102

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(4-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(4-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione (CID 135469926) is 6-hydroxy-1-(4-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(4-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(4-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione is Cc1ccc(-n2c(O)c(/C=C3/C(c4ccccc4)=Nc4ccccc43)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-1-(4-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The InChIKey is JBMYVXYXEFLERL-HMMYKYKNSA-N. The full InChI is InChI=1S/C26H19N3O3/c1-16-11-13-18(14-12-16)29-25(31)21(24(30)28-26(29)32)15-20-19-9-5-6-10-22(19)27-23(20)17-7-3-2-4-8-17/h2-15,31H,1H3,(H,28,30,32)/b20-15+.
What are the key properties of 6-hydroxy-1-(4-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
6-hydroxy-1-(4-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione has a molecular weight of 421.46 g/mol, XLogP of 4.21, 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-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135469926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).