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

C11H9ClN2O — CID 11148739

IUPAC2-chloro-4-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2ccnc(Cl)n2)cc1
InChIInChI=1S/C11H9ClN2O/c1-15-9-4-2-8(3-5-9)10-6-7-13-11(12)14-10/h2-7H,1H3
InChIKeyTZERORVMIAWOMA-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.81
Rot. Bonds2

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

2-chloro-4-(4-methoxyphenyl)pyrimidine (PubChem CID 11148739) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-chloro-4-(4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-methoxyphenyl)pyrimidine
PubChem CID11148739
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name2-chloro-4-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2ccnc(Cl)n2)cc1
InChIInChI=1S/C11H9ClN2O/c1-15-9-4-2-8(3-5-9)10-6-7-13-11(12)14-10/h2-7H,1H3
InChIKeyTZERORVMIAWOMA-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methoxyphenyl)pyrimidine?
The IUPAC name of 2-chloro-4-(4-methoxyphenyl)pyrimidine (CID 11148739) is 2-chloro-4-(4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(4-methoxyphenyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(4-methoxyphenyl)pyrimidine is COc1ccc(-c2ccnc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-4-(4-methoxyphenyl)pyrimidine?
The InChIKey is TZERORVMIAWOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-15-9-4-2-8(3-5-9)10-6-7-13-11(12)14-10/h2-7H,1H3.
What are the key properties of 2-chloro-4-(4-methoxyphenyl)pyrimidine?
2-chloro-4-(4-methoxyphenyl)pyrimidine has a molecular weight of 220.66 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 11148739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).