5-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione

C17H19N3O3 — CID 24632755

IUPAC5-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(C)c1ccc(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C17H19N3O3/c1-18(2)14-8-5-12(6-9-14)15(21)10-7-13-11-19(3)17(23)20(4)16(13)22/h5-11H,1-4H3/b10-7+
InChIKeyQQMAGNVJWWMZGH-JXMROGBWSA-N
MW313.36 g/mol
LogP1.05
Rot. Bonds4

About 5-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione

5-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 24632755) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID24632755
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(C)c1ccc(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C17H19N3O3/c1-18(2)14-8-5-12(6-9-14)15(21)10-7-13-11-19(3)17(23)20(4)16(13)22/h5-11H,1-4H3/b10-7+
InChIKeyQQMAGNVJWWMZGH-JXMROGBWSA-N
XLogP1.05
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione (CID 24632755) is 5-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione is CN(C)c1ccc(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of 5-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QQMAGNVJWWMZGH-JXMROGBWSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-18(2)14-8-5-12(6-9-14)15(21)10-7-13-11-19(3)17(23)20(4)16(13)22/h5-11H,1-4H3/b10-7+.
What are the key properties of 5-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 313.36 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 24632755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).