2-(2-ethoxy-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine

C12H15FN2O — CID 82242296

IUPAC2-(2-ethoxy-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine
SMILESCCOc1cccc(F)c1C1=NCCCN1
InChIInChI=1S/C12H15FN2O/c1-2-16-10-6-3-5-9(13)11(10)12-14-7-4-8-15-12/h3,5-6H,2,4,7-8H2,1H3,(H,14,15)
InChIKeyXZEYXAMTGWTVCP-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.96
Rot. Bonds3

About 2-(2-ethoxy-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine

2-(2-ethoxy-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 82242296) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-(2-ethoxy-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(2-ethoxy-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine
PubChem CID82242296
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-(2-ethoxy-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine
SMILESCCOc1cccc(F)c1C1=NCCCN1
InChIInChI=1S/C12H15FN2O/c1-2-16-10-6-3-5-9(13)11(10)12-14-7-4-8-15-12/h3,5-6H,2,4,7-8H2,1H3,(H,14,15)
InChIKeyXZEYXAMTGWTVCP-UHFFFAOYSA-N
XLogP1.96
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-ethoxy-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine 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 2-(2-ethoxy-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(2-ethoxy-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine (CID 82242296) is 2-(2-ethoxy-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(2-ethoxy-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(2-ethoxy-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine is CCOc1cccc(F)c1C1=NCCCN1.
What is the InChIKey of 2-(2-ethoxy-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is XZEYXAMTGWTVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-2-16-10-6-3-5-9(13)11(10)12-14-7-4-8-15-12/h3,5-6H,2,4,7-8H2,1H3,(H,14,15).
What are the key properties of 2-(2-ethoxy-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine?
2-(2-ethoxy-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 222.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82242296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).