4-ethoxy-2-methoxypyrimidine

C7H10N2O2 — CID 54231569

IUPAC4-ethoxy-2-methoxypyrimidine
SMILESCCOc1ccnc(OC)n1
InChIInChI=1S/C7H10N2O2/c1-3-11-6-4-5-8-7(9-6)10-2/h4-5H,3H2,1-2H3
InChIKeySYXXNHXBBLUWDE-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.88
Rot. Bonds3

About 4-ethoxy-2-methoxypyrimidine

4-ethoxy-2-methoxypyrimidine (PubChem CID 54231569) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-ethoxy-2-methoxypyrimidine.

Molecular Properties

Compound Name4-ethoxy-2-methoxypyrimidine
PubChem CID54231569
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name4-ethoxy-2-methoxypyrimidine
SMILESCCOc1ccnc(OC)n1
InChIInChI=1S/C7H10N2O2/c1-3-11-6-4-5-8-7(9-6)10-2/h4-5H,3H2,1-2H3
InChIKeySYXXNHXBBLUWDE-UHFFFAOYSA-N
XLogP0.88
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methoxypyrimidine?
The IUPAC name of 4-ethoxy-2-methoxypyrimidine (CID 54231569) is 4-ethoxy-2-methoxypyrimidine.
What is the SMILES notation for 4-ethoxy-2-methoxypyrimidine?
The canonical SMILES for 4-ethoxy-2-methoxypyrimidine is CCOc1ccnc(OC)n1.
What is the InChIKey of 4-ethoxy-2-methoxypyrimidine?
The InChIKey is SYXXNHXBBLUWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-11-6-4-5-8-7(9-6)10-2/h4-5H,3H2,1-2H3.
What are the key properties of 4-ethoxy-2-methoxypyrimidine?
4-ethoxy-2-methoxypyrimidine has a molecular weight of 154.17 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methoxypyrimidine is sourced from PubChem (CID 54231569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).