2-(1-ethoxyethenyl)-5-methylpyrimidine

C9H12N2O — CID 14321001

IUPAC2-(1-ethoxyethenyl)-5-methylpyrimidine
SMILESC=C(OCC)c1ncc(C)cn1
InChIInChI=1S/C9H12N2O/c1-4-12-8(3)9-10-5-7(2)6-11-9/h5-6H,3-4H2,1-2H3
InChIKeyKFJHEANTFBRHSH-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.79
Rot. Bonds3

About 2-(1-ethoxyethenyl)-5-methylpyrimidine

2-(1-ethoxyethenyl)-5-methylpyrimidine (PubChem CID 14321001) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(1-ethoxyethenyl)-5-methylpyrimidine.

Molecular Properties

Compound Name2-(1-ethoxyethenyl)-5-methylpyrimidine
PubChem CID14321001
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-(1-ethoxyethenyl)-5-methylpyrimidine
SMILESC=C(OCC)c1ncc(C)cn1
InChIInChI=1S/C9H12N2O/c1-4-12-8(3)9-10-5-7(2)6-11-9/h5-6H,3-4H2,1-2H3
InChIKeyKFJHEANTFBRHSH-UHFFFAOYSA-N
XLogP1.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-(1-ethoxyethenyl)-5-methylpyrimidine 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-(1-ethoxyethenyl)-5-methylpyrimidine?
The IUPAC name of 2-(1-ethoxyethenyl)-5-methylpyrimidine (CID 14321001) is 2-(1-ethoxyethenyl)-5-methylpyrimidine.
What is the SMILES notation for 2-(1-ethoxyethenyl)-5-methylpyrimidine?
The canonical SMILES for 2-(1-ethoxyethenyl)-5-methylpyrimidine is C=C(OCC)c1ncc(C)cn1.
What is the InChIKey of 2-(1-ethoxyethenyl)-5-methylpyrimidine?
The InChIKey is KFJHEANTFBRHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-4-12-8(3)9-10-5-7(2)6-11-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(1-ethoxyethenyl)-5-methylpyrimidine?
2-(1-ethoxyethenyl)-5-methylpyrimidine has a molecular weight of 164.21 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethenyl)-5-methylpyrimidine is sourced from PubChem (CID 14321001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).