4-chloro-6-(4-methoxyphenyl)pyrimidine

C11H9ClN2O — CID 11160353

IUPAC4-chloro-6-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cc(Cl)ncn2)cc1
InChIInChI=1S/C11H9ClN2O/c1-15-9-4-2-8(3-5-9)10-6-11(12)14-7-13-10/h2-7H,1H3
InChIKeyFNEKYVMAYAGBHY-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.81
Rot. Bonds2

About 4-chloro-6-(4-methoxyphenyl)pyrimidine

4-chloro-6-(4-methoxyphenyl)pyrimidine (PubChem CID 11160353) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 4-chloro-6-(4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-methoxyphenyl)pyrimidine
PubChem CID11160353
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name4-chloro-6-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cc(Cl)ncn2)cc1
InChIInChI=1S/C11H9ClN2O/c1-15-9-4-2-8(3-5-9)10-6-11(12)14-7-13-10/h2-7H,1H3
InChIKeyFNEKYVMAYAGBHY-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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Related Compounds

4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine
CID 24902044
4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane
CID 143849483
4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine
CID 118912795
4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine
CID 61280001
4-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidine;6-methoxy-2-methyl-4-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline
CID 159163010
3-chloro-7-methoxyisoquinoline
CID 53425565
ethyl 4-(6-chloropyrimidin-4-yl)benzoate
CID 24902046
3-chloro-6-methoxyisoquinoline
CID 53407774
4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine
CID 24902174
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
2-(4-methoxyphenoxy)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 166327221
4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262337

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methoxyphenyl)pyrimidine?
The IUPAC name of 4-chloro-6-(4-methoxyphenyl)pyrimidine (CID 11160353) is 4-chloro-6-(4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(4-methoxyphenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(4-methoxyphenyl)pyrimidine is COc1ccc(-c2cc(Cl)ncn2)cc1.
What is the InChIKey of 4-chloro-6-(4-methoxyphenyl)pyrimidine?
The InChIKey is FNEKYVMAYAGBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-15-9-4-2-8(3-5-9)10-6-11(12)14-7-13-10/h2-7H,1H3.
What are the key properties of 4-chloro-6-(4-methoxyphenyl)pyrimidine?
4-chloro-6-(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 4-chloro-6-(4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 11160353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).