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

C27H21N3O4 — CID 135651540

IUPAC6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(O)c(/C=C3/C(c4ccccc4)=Nc4ccccc43)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C27H21N3O4/c1-34-19-13-11-17(12-14-19)16-30-26(32)22(25(31)29-27(30)33)15-21-20-9-5-6-10-23(20)28-24(21)18-7-3-2-4-8-18/h2-15,32H,16H2,1H3,(H,29,31,33)/b21-15+
InChIKeyNUEMBAQNIBKPQI-RCCKNPSSSA-N
MW451.48 g/mol
LogP3.97
Rot. Bonds5

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

6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione (PubChem CID 135651540) has the molecular formula C27H21N3O4 and a molecular weight of 451.48 g/mol. Its IUPAC name is 6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
PubChem CID135651540
Molecular FormulaC27H21N3O4
Molecular Weight451.48 g/mol
Exact Mass451.15
IUPAC Name6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(O)c(/C=C3/C(c4ccccc4)=Nc4ccccc43)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C27H21N3O4/c1-34-19-13-11-17(12-14-19)16-30-26(32)22(25(31)29-27(30)33)15-21-20-9-5-6-10-23(20)28-24(21)18-7-3-2-4-8-18/h2-15,32H,16H2,1H3,(H,29,31,33)/b21-15+
InChIKeyNUEMBAQNIBKPQI-RCCKNPSSSA-N
XLogP3.97
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione (CID 135651540) is 6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione is COc1ccc(Cn2c(O)c(/C=C3/C(c4ccccc4)=Nc4ccccc43)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The InChIKey is NUEMBAQNIBKPQI-RCCKNPSSSA-N. The full InChI is InChI=1S/C27H21N3O4/c1-34-19-13-11-17(12-14-19)16-30-26(32)22(25(31)29-27(30)33)15-21-20-9-5-6-10-23(20)28-24(21)18-7-3-2-4-8-18/h2-15,32H,16H2,1H3,(H,29,31,33)/b21-15+.
What are the key properties of 6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione has a molecular weight of 451.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135651540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).