5-[(3-chlorophenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione

C13H12ClN3O2 — CID 44613528

IUPAC5-[(3-chlorophenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(/C=N/c2cccc(Cl)c2)c(=O)n(C)c1=O
InChIInChI=1S/C13H12ClN3O2/c1-16-8-9(12(18)17(2)13(16)19)7-15-11-5-3-4-10(14)6-11/h3-8H,1-2H3/b15-7+
InChIKeyUMDSGTSTZHXNFI-VIZOYTHASA-N
MW277.71 g/mol
LogP1.49
Rot. Bonds2

About 5-[(3-chlorophenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione

5-[(3-chlorophenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 44613528) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-chlorophenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID44613528
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name5-[(3-chlorophenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(/C=N/c2cccc(Cl)c2)c(=O)n(C)c1=O
InChIInChI=1S/C13H12ClN3O2/c1-16-8-9(12(18)17(2)13(16)19)7-15-11-5-3-4-10(14)6-11/h3-8H,1-2H3/b15-7+
InChIKeyUMDSGTSTZHXNFI-VIZOYTHASA-N
XLogP1.49
TPSA56.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 51.49
H-Bond Donors ≤ 50
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-[(3-chlorophenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(3-chlorophenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione (CID 44613528) is 5-[(3-chlorophenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3-chlorophenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(3-chlorophenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(/C=N/c2cccc(Cl)c2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(3-chlorophenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is UMDSGTSTZHXNFI-VIZOYTHASA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-16-8-9(12(18)17(2)13(16)19)7-15-11-5-3-4-10(14)6-11/h3-8H,1-2H3/b15-7+.
What are the key properties of 5-[(3-chlorophenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(3-chlorophenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 277.71 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 44613528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).