5-ethoxypyrimidine

C6H8N2O — CID 19921688

IUPAC5-ethoxypyrimidine
SMILESCCOc1cncnc1
InChIInChI=1S/C6H8N2O/c1-2-9-6-3-7-5-8-4-6/h3-5H,2H2,1H3
InChIKeyOKESCPJZXOUZBO-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.88
Rot. Bonds2

About 5-ethoxypyrimidine

5-ethoxypyrimidine (PubChem CID 19921688) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 5-ethoxypyrimidine.

Molecular Properties

Compound Name5-ethoxypyrimidine
PubChem CID19921688
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name5-ethoxypyrimidine
SMILESCCOc1cncnc1
InChIInChI=1S/C6H8N2O/c1-2-9-6-3-7-5-8-4-6/h3-5H,2H2,1H3
InChIKeyOKESCPJZXOUZBO-UHFFFAOYSA-N
XLogP0.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxypyrimidine?
The IUPAC name of 5-ethoxypyrimidine (CID 19921688) is 5-ethoxypyrimidine.
What is the SMILES notation for 5-ethoxypyrimidine?
The canonical SMILES for 5-ethoxypyrimidine is CCOc1cncnc1.
What is the InChIKey of 5-ethoxypyrimidine?
The InChIKey is OKESCPJZXOUZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-9-6-3-7-5-8-4-6/h3-5H,2H2,1H3.
What are the key properties of 5-ethoxypyrimidine?
5-ethoxypyrimidine has a molecular weight of 124.14 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxypyrimidine is sourced from PubChem (CID 19921688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).