4-(4-ethoxyphenyl)-2-methoxypyrimidine

C13H14N2O2 — CID 116903760

IUPAC4-(4-ethoxyphenyl)-2-methoxypyrimidine
SMILESCCOc1ccc(-c2ccnc(OC)n2)cc1
InChIInChI=1S/C13H14N2O2/c1-3-17-11-6-4-10(5-7-11)12-8-9-14-13(15-12)16-2/h4-9H,3H2,1-2H3
InChIKeyGIFNCEFSYZOHDL-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.55
Rot. Bonds4

About 4-(4-ethoxyphenyl)-2-methoxypyrimidine

4-(4-ethoxyphenyl)-2-methoxypyrimidine (PubChem CID 116903760) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-2-methoxypyrimidine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-2-methoxypyrimidine
PubChem CID116903760
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(4-ethoxyphenyl)-2-methoxypyrimidine
SMILESCCOc1ccc(-c2ccnc(OC)n2)cc1
InChIInChI=1S/C13H14N2O2/c1-3-17-11-6-4-10(5-7-11)12-8-9-14-13(15-12)16-2/h4-9H,3H2,1-2H3
InChIKeyGIFNCEFSYZOHDL-UHFFFAOYSA-N
XLogP2.55
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-2-methoxypyrimidine?
The IUPAC name of 4-(4-ethoxyphenyl)-2-methoxypyrimidine (CID 116903760) is 4-(4-ethoxyphenyl)-2-methoxypyrimidine.
What is the SMILES notation for 4-(4-ethoxyphenyl)-2-methoxypyrimidine?
The canonical SMILES for 4-(4-ethoxyphenyl)-2-methoxypyrimidine is CCOc1ccc(-c2ccnc(OC)n2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-2-methoxypyrimidine?
The InChIKey is GIFNCEFSYZOHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-17-11-6-4-10(5-7-11)12-8-9-14-13(15-12)16-2/h4-9H,3H2,1-2H3.
What are the key properties of 4-(4-ethoxyphenyl)-2-methoxypyrimidine?
4-(4-ethoxyphenyl)-2-methoxypyrimidine has a molecular weight of 230.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-2-methoxypyrimidine is sourced from PubChem (CID 116903760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).