5-[[2-(2-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C15H18FN3O2 — CID 28614591

IUPAC5-[[2-(2-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCCc2ccccc2F)c(=O)n(C)c1=O
InChIInChI=1S/C15H18FN3O2/c1-18-10-12(14(20)19(2)15(18)21)9-17-8-7-11-5-3-4-6-13(11)16/h3-6,10,17H,7-9H2,1-2H3
InChIKeyCUWHZEITVMIDBH-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.56
Rot. Bonds5

About 5-[[2-(2-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[2-(2-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 28614591) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-[[2-(2-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[2-(2-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID28614591
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name5-[[2-(2-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCCc2ccccc2F)c(=O)n(C)c1=O
InChIInChI=1S/C15H18FN3O2/c1-18-10-12(14(20)19(2)15(18)21)9-17-8-7-11-5-3-4-6-13(11)16/h3-6,10,17H,7-9H2,1-2H3
InChIKeyCUWHZEITVMIDBH-UHFFFAOYSA-N
XLogP0.56
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[2-(2-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 28614591) is 5-[[2-(2-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[2-(2-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[2-(2-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CNCCc2ccccc2F)c(=O)n(C)c1=O.
What is the InChIKey of 5-[[2-(2-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is CUWHZEITVMIDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-18-10-12(14(20)19(2)15(18)21)9-17-8-7-11-5-3-4-6-13(11)16/h3-6,10,17H,7-9H2,1-2H3.
What are the key properties of 5-[[2-(2-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[2-(2-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 291.33 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-fluorophenyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 28614591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).