2-ethoxy-4-methylpyrimidine

C7H10N2O — CID 20616759

IUPAC2-ethoxy-4-methylpyrimidine
SMILESCCOc1nccc(C)n1
InChIInChI=1S/C7H10N2O/c1-3-10-7-8-5-4-6(2)9-7/h4-5H,3H2,1-2H3
InChIKeyIPXQGBTVHWZGQC-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.18
Rot. Bonds2

About 2-ethoxy-4-methylpyrimidine

2-ethoxy-4-methylpyrimidine (PubChem CID 20616759) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-ethoxy-4-methylpyrimidine.

Molecular Properties

Compound Name2-ethoxy-4-methylpyrimidine
PubChem CID20616759
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-ethoxy-4-methylpyrimidine
SMILESCCOc1nccc(C)n1
InChIInChI=1S/C7H10N2O/c1-3-10-7-8-5-4-6(2)9-7/h4-5H,3H2,1-2H3
InChIKeyIPXQGBTVHWZGQC-UHFFFAOYSA-N
XLogP1.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methylpyrimidine?
The IUPAC name of 2-ethoxy-4-methylpyrimidine (CID 20616759) is 2-ethoxy-4-methylpyrimidine.
What is the SMILES notation for 2-ethoxy-4-methylpyrimidine?
The canonical SMILES for 2-ethoxy-4-methylpyrimidine is CCOc1nccc(C)n1.
What is the InChIKey of 2-ethoxy-4-methylpyrimidine?
The InChIKey is IPXQGBTVHWZGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-10-7-8-5-4-6(2)9-7/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethoxy-4-methylpyrimidine?
2-ethoxy-4-methylpyrimidine has a molecular weight of 138.17 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methylpyrimidine is sourced from PubChem (CID 20616759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).