2-(2-chloro-4-ethoxy-3-methoxyphenyl)pyrimidine

C13H13ClN2O2 — CID 90712376

IUPAC2-(2-chloro-4-ethoxy-3-methoxyphenyl)pyrimidine
SMILESCCOc1ccc(-c2ncccn2)c(Cl)c1OC
InChIInChI=1S/C13H13ClN2O2/c1-3-18-10-6-5-9(11(14)12(10)17-2)13-15-7-4-8-16-13/h4-8H,3H2,1-2H3
InChIKeyMFRXPPJCEQBARX-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.20
Rot. Bonds4

About 2-(2-chloro-4-ethoxy-3-methoxyphenyl)pyrimidine

2-(2-chloro-4-ethoxy-3-methoxyphenyl)pyrimidine (PubChem CID 90712376) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-(2-chloro-4-ethoxy-3-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2-(2-chloro-4-ethoxy-3-methoxyphenyl)pyrimidine
PubChem CID90712376
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-(2-chloro-4-ethoxy-3-methoxyphenyl)pyrimidine
SMILESCCOc1ccc(-c2ncccn2)c(Cl)c1OC
InChIInChI=1S/C13H13ClN2O2/c1-3-18-10-6-5-9(11(14)12(10)17-2)13-15-7-4-8-16-13/h4-8H,3H2,1-2H3
InChIKeyMFRXPPJCEQBARX-UHFFFAOYSA-N
XLogP3.20
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-ethoxy-3-methoxyphenyl)pyrimidine?
The IUPAC name of 2-(2-chloro-4-ethoxy-3-methoxyphenyl)pyrimidine (CID 90712376) is 2-(2-chloro-4-ethoxy-3-methoxyphenyl)pyrimidine.
What is the SMILES notation for 2-(2-chloro-4-ethoxy-3-methoxyphenyl)pyrimidine?
The canonical SMILES for 2-(2-chloro-4-ethoxy-3-methoxyphenyl)pyrimidine is CCOc1ccc(-c2ncccn2)c(Cl)c1OC.
What is the InChIKey of 2-(2-chloro-4-ethoxy-3-methoxyphenyl)pyrimidine?
The InChIKey is MFRXPPJCEQBARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-3-18-10-6-5-9(11(14)12(10)17-2)13-15-7-4-8-16-13/h4-8H,3H2,1-2H3.
What are the key properties of 2-(2-chloro-4-ethoxy-3-methoxyphenyl)pyrimidine?
2-(2-chloro-4-ethoxy-3-methoxyphenyl)pyrimidine has a molecular weight of 264.71 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-ethoxy-3-methoxyphenyl)pyrimidine is sourced from PubChem (CID 90712376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).