4-ethoxy-6-propylpyrimidine

C9H14N2O — CID 54518165

IUPAC4-ethoxy-6-propylpyrimidine
SMILESCCCc1cc(OCC)ncn1
InChIInChI=1S/C9H14N2O/c1-3-5-8-6-9(12-4-2)11-7-10-8/h6-7H,3-5H2,1-2H3
InChIKeyLIKLNMOMLCPNIY-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.83
Rot. Bonds4

About 4-ethoxy-6-propylpyrimidine

4-ethoxy-6-propylpyrimidine (PubChem CID 54518165) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-ethoxy-6-propylpyrimidine.

Molecular Properties

Compound Name4-ethoxy-6-propylpyrimidine
PubChem CID54518165
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-ethoxy-6-propylpyrimidine
SMILESCCCc1cc(OCC)ncn1
InChIInChI=1S/C9H14N2O/c1-3-5-8-6-9(12-4-2)11-7-10-8/h6-7H,3-5H2,1-2H3
InChIKeyLIKLNMOMLCPNIY-UHFFFAOYSA-N
XLogP1.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-propylpyrimidine?
The IUPAC name of 4-ethoxy-6-propylpyrimidine (CID 54518165) is 4-ethoxy-6-propylpyrimidine.
What is the SMILES notation for 4-ethoxy-6-propylpyrimidine?
The canonical SMILES for 4-ethoxy-6-propylpyrimidine is CCCc1cc(OCC)ncn1.
What is the InChIKey of 4-ethoxy-6-propylpyrimidine?
The InChIKey is LIKLNMOMLCPNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-5-8-6-9(12-4-2)11-7-10-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-ethoxy-6-propylpyrimidine?
4-ethoxy-6-propylpyrimidine has a molecular weight of 166.22 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-propylpyrimidine is sourced from PubChem (CID 54518165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).