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

C26H19N3O4 — CID 135884677

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

6-hydroxy-1-(2-methoxyphenyl)-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione (PubChem CID 135884677) has the molecular formula C26H19N3O4 and a molecular weight of 437.46 g/mol. Its IUPAC name is 6-hydroxy-1-(2-methoxyphenyl)-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-hydroxy-1-(2-methoxyphenyl)-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
• PubChem CID: 135884677
• Molecular Formula: C26H19N3O4
• Molecular Weight: 437.46 g/mol
• Exact Mass: 437.14
• IUPAC Name: 6-hydroxy-1-(2-methoxyphenyl)-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
• SMILES: COc1ccccc1-n1c(O)c(/C=C2\C(c3ccccc3)=Nc3ccccc32)c(=O)[nH]c1=O
• InChI: InChI=1S/C26H19N3O4/c1-33-22-14-8-7-13-21(22)29-25(31)19(24(30)28-26(29)32)15-18-17-11-5-6-12-20(17)27-23(18)16-9-3-2-4-10-16/h2-15,31H,1H3,(H,28,30,32)/b18-15-
• InChIKey: LJOFBNWIUQHSQD-SDXDJHTJSA-N
• XLogP: 3.91
• TPSA: 96.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.46
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(2-methoxyphenyl)-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?

The IUPAC name of 6-hydroxy-1-(2-methoxyphenyl)-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione (CID 135884677) is 6-hydroxy-1-(2-methoxyphenyl)-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione.

What is the SMILES notation for 6-hydroxy-1-(2-methoxyphenyl)-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?

The canonical SMILES for 6-hydroxy-1-(2-methoxyphenyl)-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione is COc1ccccc1-n1c(O)c(/C=C2\C(c3ccccc3)=Nc3ccccc32)c(=O)[nH]c1=O.

What is the InChIKey of 6-hydroxy-1-(2-methoxyphenyl)-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?

The InChIKey is LJOFBNWIUQHSQD-SDXDJHTJSA-N. The full InChI is InChI=1S/C26H19N3O4/c1-33-22-14-8-7-13-21(22)29-25(31)19(24(30)28-26(29)32)15-18-17-11-5-6-12-20(17)27-23(18)16-9-3-2-4-10-16/h2-15,31H,1H3,(H,28,30,32)/b18-15-.

What are the key properties of 6-hydroxy-1-(2-methoxyphenyl)-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?

6-hydroxy-1-(2-methoxyphenyl)-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione has a molecular weight of 437.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-1-(2-methoxyphenyl)-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135884677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).