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

C20H17N3O3 — CID 135450518

IUPAC6-hydroxy-1-(4-methylphenyl)-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=C/C=N/c3ccccc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C20H17N3O3/c1-14-9-11-16(12-10-14)23-19(25)17(18(24)22-20(23)26)8-5-13-21-15-6-3-2-4-7-15/h2-13,25H,1H3,(H,22,24,26)/b8-5+,21-13+
InChIKeyHQHLAIDLAFNJRW-QRJSFIJRSA-N
MW347.37 g/mol
LogP2.96
Rot. Bonds4

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

6-hydroxy-1-(4-methylphenyl)-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione (PubChem CID 135450518) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 6-hydroxy-1-(4-methylphenyl)-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(4-methylphenyl)-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione
PubChem CID135450518
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name6-hydroxy-1-(4-methylphenyl)-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=C/C=N/c3ccccc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C20H17N3O3/c1-14-9-11-16(12-10-14)23-19(25)17(18(24)22-20(23)26)8-5-13-21-15-6-3-2-4-7-15/h2-13,25H,1H3,(H,22,24,26)/b8-5+,21-13+
InChIKeyHQHLAIDLAFNJRW-QRJSFIJRSA-N
XLogP2.96
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.96
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-(4-methylphenyl)-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(4-methylphenyl)-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione (CID 135450518) is 6-hydroxy-1-(4-methylphenyl)-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(4-methylphenyl)-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(4-methylphenyl)-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione is Cc1ccc(-n2c(O)c(/C=C/C=N/c3ccccc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-1-(4-methylphenyl)-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione?
The InChIKey is HQHLAIDLAFNJRW-QRJSFIJRSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-14-9-11-16(12-10-14)23-19(25)17(18(24)22-20(23)26)8-5-13-21-15-6-3-2-4-7-15/h2-13,25H,1H3,(H,22,24,26)/b8-5+,21-13+.
What are the key properties of 6-hydroxy-1-(4-methylphenyl)-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione?
6-hydroxy-1-(4-methylphenyl)-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione has a molecular weight of 347.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(4-methylphenyl)-5-[(E)-3-phenyliminoprop-1-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135450518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).