5-methoxypyrimidine

C5H6N2O — CID 573467

IUPAC5-methoxypyrimidine
SMILESCOc1cncnc1
InChIInChI=1S/C5H6N2O/c1-8-5-2-6-4-7-3-5/h2-4H,1H3
InChIKeyJIADELSANNMYFC-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.49
Rot. Bonds1

About 5-methoxypyrimidine

5-methoxypyrimidine (PubChem CID 573467) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is 5-methoxypyrimidine.

Molecular Properties

Compound Name5-methoxypyrimidine
PubChem CID573467
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name5-methoxypyrimidine
SMILESCOc1cncnc1
InChIInChI=1S/C5H6N2O/c1-8-5-2-6-4-7-3-5/h2-4H,1H3
InChIKeyJIADELSANNMYFC-UHFFFAOYSA-N
XLogP0.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxypyrimidine?
The IUPAC name of 5-methoxypyrimidine (CID 573467) is 5-methoxypyrimidine.
What is the SMILES notation for 5-methoxypyrimidine?
The canonical SMILES for 5-methoxypyrimidine is COc1cncnc1.
What is the InChIKey of 5-methoxypyrimidine?
The InChIKey is JIADELSANNMYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c1-8-5-2-6-4-7-3-5/h2-4H,1H3.
What are the key properties of 5-methoxypyrimidine?
5-methoxypyrimidine has a molecular weight of 110.12 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypyrimidine is sourced from PubChem (CID 573467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).