6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-phenylpyrimidine-2,4-dione

C19H13N3O3 — CID 135458887

IUPAC6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-phenylpyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2)c(O)c1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C19H13N3O3/c23-17-15(10-12-11-20-16-9-5-4-8-14(12)16)18(24)22(19(25)21-17)13-6-2-1-3-7-13/h1-11,24H,(H,21,23,25)/b12-10+
InChIKeyGFTOSJGJZZPSIP-ZRDIBKRKSA-N
MW331.33 g/mol
LogP2.49
Rot. Bonds2

About 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-phenylpyrimidine-2,4-dione

6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-phenylpyrimidine-2,4-dione (PubChem CID 135458887) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-phenylpyrimidine-2,4-dione
PubChem CID135458887
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC Name6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-phenylpyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2)c(O)c1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C19H13N3O3/c23-17-15(10-12-11-20-16-9-5-4-8-14(12)16)18(24)22(19(25)21-17)13-6-2-1-3-7-13/h1-11,24H,(H,21,23,25)/b12-10+
InChIKeyGFTOSJGJZZPSIP-ZRDIBKRKSA-N
XLogP2.49
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-phenylpyrimidine-2,4-dione (CID 135458887) is 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-phenylpyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccccc2)c(O)c1/C=C1\C=Nc2ccccc21.
What is the InChIKey of 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-phenylpyrimidine-2,4-dione?
The InChIKey is GFTOSJGJZZPSIP-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H13N3O3/c23-17-15(10-12-11-20-16-9-5-4-8-14(12)16)18(24)22(19(25)21-17)13-6-2-1-3-7-13/h1-11,24H,(H,21,23,25)/b12-10+.
What are the key properties of 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-phenylpyrimidine-2,4-dione?
6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-phenylpyrimidine-2,4-dione has a molecular weight of 331.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 135458887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).