2-methoxy-5-methylpyrimidine

C6H8N2O — CID 580052

IUPAC2-methoxy-5-methylpyrimidine
SMILESCOc1ncc(C)cn1
InChIInChI=1S/C6H8N2O/c1-5-3-7-6(9-2)8-4-5/h3-4H,1-2H3
InChIKeyBCJLWYKGUBGKFP-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.79
Rot. Bonds1

About 2-methoxy-5-methylpyrimidine

2-methoxy-5-methylpyrimidine (PubChem CID 580052) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-methoxy-5-methylpyrimidine.

Molecular Properties

Compound Name2-methoxy-5-methylpyrimidine
PubChem CID580052
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2-methoxy-5-methylpyrimidine
SMILESCOc1ncc(C)cn1
InChIInChI=1S/C6H8N2O/c1-5-3-7-6(9-2)8-4-5/h3-4H,1-2H3
InChIKeyBCJLWYKGUBGKFP-UHFFFAOYSA-N
XLogP0.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-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-methoxy-5-methylpyrimidine?
The IUPAC name of 2-methoxy-5-methylpyrimidine (CID 580052) is 2-methoxy-5-methylpyrimidine.
What is the SMILES notation for 2-methoxy-5-methylpyrimidine?
The canonical SMILES for 2-methoxy-5-methylpyrimidine is COc1ncc(C)cn1.
What is the InChIKey of 2-methoxy-5-methylpyrimidine?
The InChIKey is BCJLWYKGUBGKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5-3-7-6(9-2)8-4-5/h3-4H,1-2H3.
What are the key properties of 2-methoxy-5-methylpyrimidine?
2-methoxy-5-methylpyrimidine has a molecular weight of 124.14 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methylpyrimidine is sourced from PubChem (CID 580052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).