4-chloro-2-(4-methylphenoxy)pyrimidine

C11H9ClN2O — CID 22675087

IUPAC4-chloro-2-(4-methylphenoxy)pyrimidine
SMILESCc1ccc(Oc2nccc(Cl)n2)cc1
InChIInChI=1S/C11H9ClN2O/c1-8-2-4-9(5-3-8)15-11-13-7-6-10(12)14-11/h2-7H,1H3
InChIKeyFOURSHDUKZVPKZ-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.23
Rot. Bonds2

About 4-chloro-2-(4-methylphenoxy)pyrimidine

4-chloro-2-(4-methylphenoxy)pyrimidine (PubChem CID 22675087) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 4-chloro-2-(4-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-methylphenoxy)pyrimidine
PubChem CID22675087
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name4-chloro-2-(4-methylphenoxy)pyrimidine
SMILESCc1ccc(Oc2nccc(Cl)n2)cc1
InChIInChI=1S/C11H9ClN2O/c1-8-2-4-9(5-3-8)15-11-13-7-6-10(12)14-11/h2-7H,1H3
InChIKeyFOURSHDUKZVPKZ-UHFFFAOYSA-N
XLogP3.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methylphenoxy)pyrimidine?
The IUPAC name of 4-chloro-2-(4-methylphenoxy)pyrimidine (CID 22675087) is 4-chloro-2-(4-methylphenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-methylphenoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-(4-methylphenoxy)pyrimidine is Cc1ccc(Oc2nccc(Cl)n2)cc1.
What is the InChIKey of 4-chloro-2-(4-methylphenoxy)pyrimidine?
The InChIKey is FOURSHDUKZVPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-8-2-4-9(5-3-8)15-11-13-7-6-10(12)14-11/h2-7H,1H3.
What are the key properties of 4-chloro-2-(4-methylphenoxy)pyrimidine?
4-chloro-2-(4-methylphenoxy)pyrimidine has a molecular weight of 220.66 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methylphenoxy)pyrimidine is sourced from PubChem (CID 22675087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).