5-[ethyl-[(2-iodophenyl)methyl]amino]-1,3-dimethylpyrimidine-2,4-dione

C15H18IN3O2 — CID 135078241

IUPAC5-[ethyl-[(2-iodophenyl)methyl]amino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCN(Cc1ccccc1I)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H18IN3O2/c1-4-19(9-11-7-5-6-8-12(11)16)13-10-17(2)15(21)18(3)14(13)20/h5-8,10H,4,9H2,1-3H3
InChIKeyHKNOLBKPYMKODV-UHFFFAOYSA-N
MW399.23 g/mol
LogP1.72
Rot. Bonds4

About 5-[ethyl-[(2-iodophenyl)methyl]amino]-1,3-dimethylpyrimidine-2,4-dione

5-[ethyl-[(2-iodophenyl)methyl]amino]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 135078241) has the molecular formula C15H18IN3O2 and a molecular weight of 399.23 g/mol. Its IUPAC name is 5-[ethyl-[(2-iodophenyl)methyl]amino]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[ethyl-[(2-iodophenyl)methyl]amino]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID135078241
Molecular FormulaC15H18IN3O2
Molecular Weight399.23 g/mol
Exact Mass399.04
IUPAC Name5-[ethyl-[(2-iodophenyl)methyl]amino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCN(Cc1ccccc1I)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H18IN3O2/c1-4-19(9-11-7-5-6-8-12(11)16)13-10-17(2)15(21)18(3)14(13)20/h5-8,10H,4,9H2,1-3H3
InChIKeyHKNOLBKPYMKODV-UHFFFAOYSA-N
XLogP1.72
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[ethyl-[(2-iodophenyl)methyl]amino]-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-[ethyl-[(2-iodophenyl)methyl]amino]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[ethyl-[(2-iodophenyl)methyl]amino]-1,3-dimethylpyrimidine-2,4-dione (CID 135078241) is 5-[ethyl-[(2-iodophenyl)methyl]amino]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[ethyl-[(2-iodophenyl)methyl]amino]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[ethyl-[(2-iodophenyl)methyl]amino]-1,3-dimethylpyrimidine-2,4-dione is CCN(Cc1ccccc1I)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[ethyl-[(2-iodophenyl)methyl]amino]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is HKNOLBKPYMKODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3O2/c1-4-19(9-11-7-5-6-8-12(11)16)13-10-17(2)15(21)18(3)14(13)20/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 5-[ethyl-[(2-iodophenyl)methyl]amino]-1,3-dimethylpyrimidine-2,4-dione?
5-[ethyl-[(2-iodophenyl)methyl]amino]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 399.23 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-[(2-iodophenyl)methyl]amino]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 135078241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).