2-ethynyl-4-methoxypyrimidine

C7H6N2O — CID 10011938

IUPAC2-ethynyl-4-methoxypyrimidine
SMILESC#Cc1nccc(OC)n1
InChIInChI=1S/C7H6N2O/c1-3-6-8-5-4-7(9-6)10-2/h1,4-5H,2H3
InChIKeyYEUPWWFSFTVXRI-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.47
Rot. Bonds1

About 2-ethynyl-4-methoxypyrimidine

2-ethynyl-4-methoxypyrimidine (PubChem CID 10011938) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 2-ethynyl-4-methoxypyrimidine.

Molecular Properties

Compound Name2-ethynyl-4-methoxypyrimidine
PubChem CID10011938
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name2-ethynyl-4-methoxypyrimidine
SMILESC#Cc1nccc(OC)n1
InChIInChI=1S/C7H6N2O/c1-3-6-8-5-4-7(9-6)10-2/h1,4-5H,2H3
InChIKeyYEUPWWFSFTVXRI-UHFFFAOYSA-N
XLogP0.47
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethynyl-4-methoxypyrimidine 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-ethynyl-4-methoxypyrimidine?
The IUPAC name of 2-ethynyl-4-methoxypyrimidine (CID 10011938) is 2-ethynyl-4-methoxypyrimidine.
What is the SMILES notation for 2-ethynyl-4-methoxypyrimidine?
The canonical SMILES for 2-ethynyl-4-methoxypyrimidine is C#Cc1nccc(OC)n1.
What is the InChIKey of 2-ethynyl-4-methoxypyrimidine?
The InChIKey is YEUPWWFSFTVXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c1-3-6-8-5-4-7(9-6)10-2/h1,4-5H,2H3.
What are the key properties of 2-ethynyl-4-methoxypyrimidine?
2-ethynyl-4-methoxypyrimidine has a molecular weight of 134.14 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-4-methoxypyrimidine is sourced from PubChem (CID 10011938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).