4-methoxy-2-methylpyrimidine

C6H8N2O — CID 535905

IUPAC4-methoxy-2-methylpyrimidine
SMILESCOc1ccnc(C)n1
InChIInChI=1S/C6H8N2O/c1-5-7-4-3-6(8-5)9-2/h3-4H,1-2H3
InChIKeyXTRAWORUGOJWSH-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.79
Rot. Bonds1

About 4-methoxy-2-methylpyrimidine

4-methoxy-2-methylpyrimidine (PubChem CID 535905) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 4-methoxy-2-methylpyrimidine.

Molecular Properties

Compound Name4-methoxy-2-methylpyrimidine
PubChem CID535905
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name4-methoxy-2-methylpyrimidine
SMILESCOc1ccnc(C)n1
InChIInChI=1S/C6H8N2O/c1-5-7-4-3-6(8-5)9-2/h3-4H,1-2H3
InChIKeyXTRAWORUGOJWSH-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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylpyrimidine?
The IUPAC name of 4-methoxy-2-methylpyrimidine (CID 535905) is 4-methoxy-2-methylpyrimidine.
What is the SMILES notation for 4-methoxy-2-methylpyrimidine?
The canonical SMILES for 4-methoxy-2-methylpyrimidine is COc1ccnc(C)n1.
What is the InChIKey of 4-methoxy-2-methylpyrimidine?
The InChIKey is XTRAWORUGOJWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5-7-4-3-6(8-5)9-2/h3-4H,1-2H3.
What are the key properties of 4-methoxy-2-methylpyrimidine?
4-methoxy-2-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 4-methoxy-2-methylpyrimidine is sourced from PubChem (CID 535905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).