5-(benzyliminomethyl)-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione

C20H19N3O3 — CID 1416482

IUPAC5-(benzyliminomethyl)-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCc1cccc(-n2c(O)c(/C=N/Cc3ccccc3)c(=O)[nH]c2=O)c1C
InChIInChI=1S/C20H19N3O3/c1-13-7-6-10-17(14(13)2)23-19(25)16(18(24)22-20(23)26)12-21-11-15-8-4-3-5-9-15/h3-10,12,25H,11H2,1-2H3,(H,22,24,26)/b21-12+
InChIKeyHAXZLXNRPMFCDU-CIAFOILYSA-N
MW349.39 g/mol
LogP2.47
Rot. Bonds4

About 5-(benzyliminomethyl)-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione

5-(benzyliminomethyl)-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 1416482) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-(benzyliminomethyl)-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(benzyliminomethyl)-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID1416482
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name5-(benzyliminomethyl)-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCc1cccc(-n2c(O)c(/C=N/Cc3ccccc3)c(=O)[nH]c2=O)c1C
InChIInChI=1S/C20H19N3O3/c1-13-7-6-10-17(14(13)2)23-19(25)16(18(24)22-20(23)26)12-21-11-15-8-4-3-5-9-15/h3-10,12,25H,11H2,1-2H3,(H,22,24,26)/b21-12+
InChIKeyHAXZLXNRPMFCDU-CIAFOILYSA-N
XLogP2.47
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.47
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 5-(benzyliminomethyl)-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-(benzyliminomethyl)-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione (CID 1416482) is 5-(benzyliminomethyl)-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-(benzyliminomethyl)-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-(benzyliminomethyl)-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione is Cc1cccc(-n2c(O)c(/C=N/Cc3ccccc3)c(=O)[nH]c2=O)c1C.
What is the InChIKey of 5-(benzyliminomethyl)-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is HAXZLXNRPMFCDU-CIAFOILYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-7-6-10-17(14(13)2)23-19(25)16(18(24)22-20(23)26)12-21-11-15-8-4-3-5-9-15/h3-10,12,25H,11H2,1-2H3,(H,22,24,26)/b21-12+.
What are the key properties of 5-(benzyliminomethyl)-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione?
5-(benzyliminomethyl)-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 349.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzyliminomethyl)-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 1416482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).