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

C11H9ClN2O — CID 12679948

IUPAC2-chloro-4-(2-methylphenoxy)pyrimidine
SMILESCc1ccccc1Oc1ccnc(Cl)n1
InChIInChI=1S/C11H9ClN2O/c1-8-4-2-3-5-9(8)15-10-6-7-13-11(12)14-10/h2-7H,1H3
InChIKeyBCMYDZPTDURGHU-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.23
Rot. Bonds2

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

2-chloro-4-(2-methylphenoxy)pyrimidine (PubChem CID 12679948) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-chloro-4-(2-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-methylphenoxy)pyrimidine
PubChem CID12679948
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name2-chloro-4-(2-methylphenoxy)pyrimidine
SMILESCc1ccccc1Oc1ccnc(Cl)n1
InChIInChI=1S/C11H9ClN2O/c1-8-4-2-3-5-9(8)15-10-6-7-13-11(12)14-10/h2-7H,1H3
InChIKeyBCMYDZPTDURGHU-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 2-chloro-4-(2-methylphenoxy)pyrimidine?
The IUPAC name of 2-chloro-4-(2-methylphenoxy)pyrimidine (CID 12679948) is 2-chloro-4-(2-methylphenoxy)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-methylphenoxy)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-methylphenoxy)pyrimidine is Cc1ccccc1Oc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-methylphenoxy)pyrimidine?
The InChIKey is BCMYDZPTDURGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-8-4-2-3-5-9(8)15-10-6-7-13-11(12)14-10/h2-7H,1H3.
What are the key properties of 2-chloro-4-(2-methylphenoxy)pyrimidine?
2-chloro-4-(2-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 2-chloro-4-(2-methylphenoxy)pyrimidine is sourced from PubChem (CID 12679948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).