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

C26H19N3O3 — CID 135433215

IUPAC6-hydroxy-1-(3-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(O)c(/C=C3/C(c4ccccc4)=Nc4ccccc43)c(=O)[nH]c2=O)c1
InChIInChI=1S/C26H19N3O3/c1-16-8-7-11-18(14-16)29-25(31)21(24(30)28-26(29)32)15-20-19-12-5-6-13-22(19)27-23(20)17-9-3-2-4-10-17/h2-15,31H,1H3,(H,28,30,32)/b20-15+
InChIKeyPVWAHRFWPCEJKP-HMMYKYKNSA-N
MW421.46 g/mol
LogP4.21
Rot. Bonds3

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

6-hydroxy-1-(3-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione (PubChem CID 135433215) has the molecular formula C26H19N3O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is 6-hydroxy-1-(3-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(3-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
PubChem CID135433215
Molecular FormulaC26H19N3O3
Molecular Weight421.46 g/mol
Exact Mass421.14
IUPAC Name6-hydroxy-1-(3-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(O)c(/C=C3/C(c4ccccc4)=Nc4ccccc43)c(=O)[nH]c2=O)c1
InChIInChI=1S/C26H19N3O3/c1-16-8-7-11-18(14-16)29-25(31)21(24(30)28-26(29)32)15-20-19-12-5-6-13-22(19)27-23(20)17-9-3-2-4-10-17/h2-15,31H,1H3,(H,28,30,32)/b20-15+
InChIKeyPVWAHRFWPCEJKP-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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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(3-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(3-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione (CID 135433215) is 6-hydroxy-1-(3-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(3-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(3-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione is Cc1cccc(-n2c(O)c(/C=C3/C(c4ccccc4)=Nc4ccccc43)c(=O)[nH]c2=O)c1.
What is the InChIKey of 6-hydroxy-1-(3-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The InChIKey is PVWAHRFWPCEJKP-HMMYKYKNSA-N. The full InChI is InChI=1S/C26H19N3O3/c1-16-8-7-11-18(14-16)29-25(31)21(24(30)28-26(29)32)15-20-19-12-5-6-13-22(19)27-23(20)17-9-3-2-4-10-17/h2-15,31H,1H3,(H,28,30,32)/b20-15+.
What are the key properties of 6-hydroxy-1-(3-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
6-hydroxy-1-(3-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-(3-methylphenyl)-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135433215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).