5-ethoxy-4-methoxy-2-methylpyrimidine

C8H12N2O2 — CID 597785

IUPAC5-ethoxy-4-methoxy-2-methylpyrimidine
SMILESCCOc1cnc(C)nc1OC
InChIInChI=1S/C8H12N2O2/c1-4-12-7-5-9-6(2)10-8(7)11-3/h5H,4H2,1-3H3
InChIKeyGQDAASPHKDGGSH-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.19
Rot. Bonds3

About 5-ethoxy-4-methoxy-2-methylpyrimidine

5-ethoxy-4-methoxy-2-methylpyrimidine (PubChem CID 597785) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-ethoxy-4-methoxy-2-methylpyrimidine.

Molecular Properties

Compound Name5-ethoxy-4-methoxy-2-methylpyrimidine
PubChem CID597785
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-ethoxy-4-methoxy-2-methylpyrimidine
SMILESCCOc1cnc(C)nc1OC
InChIInChI=1S/C8H12N2O2/c1-4-12-7-5-9-6(2)10-8(7)11-3/h5H,4H2,1-3H3
InChIKeyGQDAASPHKDGGSH-UHFFFAOYSA-N
XLogP1.19
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-methoxy-2-methylpyrimidine?
The IUPAC name of 5-ethoxy-4-methoxy-2-methylpyrimidine (CID 597785) is 5-ethoxy-4-methoxy-2-methylpyrimidine.
What is the SMILES notation for 5-ethoxy-4-methoxy-2-methylpyrimidine?
The canonical SMILES for 5-ethoxy-4-methoxy-2-methylpyrimidine is CCOc1cnc(C)nc1OC.
What is the InChIKey of 5-ethoxy-4-methoxy-2-methylpyrimidine?
The InChIKey is GQDAASPHKDGGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-12-7-5-9-6(2)10-8(7)11-3/h5H,4H2,1-3H3.
What are the key properties of 5-ethoxy-4-methoxy-2-methylpyrimidine?
5-ethoxy-4-methoxy-2-methylpyrimidine has a molecular weight of 168.20 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-methoxy-2-methylpyrimidine is sourced from PubChem (CID 597785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).