4-chloro-6-(3-ethoxyphenoxy)pyrimidine

C12H11ClN2O2 — CID 55061243

IUPAC4-chloro-6-(3-ethoxyphenoxy)pyrimidine
SMILESCCOc1cccc(Oc2cc(Cl)ncn2)c1
InChIInChI=1S/C12H11ClN2O2/c1-2-16-9-4-3-5-10(6-9)17-12-7-11(13)14-8-15-12/h3-8H,2H2,1H3
InChIKeyUBVHXPQZODIJIQ-UHFFFAOYSA-N
MW250.69 g/mol
LogP3.32
Rot. Bonds4

About 4-chloro-6-(3-ethoxyphenoxy)pyrimidine

4-chloro-6-(3-ethoxyphenoxy)pyrimidine (PubChem CID 55061243) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-chloro-6-(3-ethoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-ethoxyphenoxy)pyrimidine
PubChem CID55061243
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name4-chloro-6-(3-ethoxyphenoxy)pyrimidine
SMILESCCOc1cccc(Oc2cc(Cl)ncn2)c1
InChIInChI=1S/C12H11ClN2O2/c1-2-16-9-4-3-5-10(6-9)17-12-7-11(13)14-8-15-12/h3-8H,2H2,1H3
InChIKeyUBVHXPQZODIJIQ-UHFFFAOYSA-N
XLogP3.32
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-ethoxyphenoxy)pyrimidine?
The IUPAC name of 4-chloro-6-(3-ethoxyphenoxy)pyrimidine (CID 55061243) is 4-chloro-6-(3-ethoxyphenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3-ethoxyphenoxy)pyrimidine?
The canonical SMILES for 4-chloro-6-(3-ethoxyphenoxy)pyrimidine is CCOc1cccc(Oc2cc(Cl)ncn2)c1.
What is the InChIKey of 4-chloro-6-(3-ethoxyphenoxy)pyrimidine?
The InChIKey is UBVHXPQZODIJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-2-16-9-4-3-5-10(6-9)17-12-7-11(13)14-8-15-12/h3-8H,2H2,1H3.
What are the key properties of 4-chloro-6-(3-ethoxyphenoxy)pyrimidine?
4-chloro-6-(3-ethoxyphenoxy)pyrimidine has a molecular weight of 250.69 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-ethoxyphenoxy)pyrimidine is sourced from PubChem (CID 55061243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).