6-hydroxy-1-phenyl-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione

C19H15N3O3 — CID 135469977

IUPAC6-hydroxy-1-phenyl-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2)c(O)c1/C=C/C=N/c1ccccc1
InChIInChI=1S/C19H15N3O3/c23-17-16(12-7-13-20-14-8-3-1-4-9-14)18(24)22(19(25)21-17)15-10-5-2-6-11-15/h1-13,24H,(H,21,23,25)/b12-7+,20-13+
InChIKeyKWUBVSMHVRHMGX-BDPZUMOYSA-N
MW333.35 g/mol
LogP2.65
Rot. Bonds4

About 6-hydroxy-1-phenyl-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione

6-hydroxy-1-phenyl-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione (PubChem CID 135469977) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 6-hydroxy-1-phenyl-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-phenyl-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione
PubChem CID135469977
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name6-hydroxy-1-phenyl-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2)c(O)c1/C=C/C=N/c1ccccc1
InChIInChI=1S/C19H15N3O3/c23-17-16(12-7-13-20-14-8-3-1-4-9-14)18(24)22(19(25)21-17)15-10-5-2-6-11-15/h1-13,24H,(H,21,23,25)/b12-7+,20-13+
InChIKeyKWUBVSMHVRHMGX-BDPZUMOYSA-N
XLogP2.65
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-phenyl-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-phenyl-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione (CID 135469977) is 6-hydroxy-1-phenyl-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-phenyl-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-phenyl-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccccc2)c(O)c1/C=C/C=N/c1ccccc1.
What is the InChIKey of 6-hydroxy-1-phenyl-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione?
The InChIKey is KWUBVSMHVRHMGX-BDPZUMOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-17-16(12-7-13-20-14-8-3-1-4-9-14)18(24)22(19(25)21-17)15-10-5-2-6-11-15/h1-13,24H,(H,21,23,25)/b12-7+,20-13+.
What are the key properties of 6-hydroxy-1-phenyl-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione?
6-hydroxy-1-phenyl-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione has a molecular weight of 333.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-phenyl-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135469977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).