2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine

C13H13ClN2O2 — CID 116811184

IUPAC2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine
SMILESCOc1cccc(OC)c1-c1cc(C)nc(Cl)n1
InChIInChI=1S/C13H13ClN2O2/c1-8-7-9(16-13(14)15-8)12-10(17-2)5-4-6-11(12)18-3/h4-7H,1-3H3
InChIKeyKWYDEJZCSMFZLI-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.12
Rot. Bonds3

About 2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine

2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine (PubChem CID 116811184) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine
PubChem CID116811184
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine
SMILESCOc1cccc(OC)c1-c1cc(C)nc(Cl)n1
InChIInChI=1S/C13H13ClN2O2/c1-8-7-9(16-13(14)15-8)12-10(17-2)5-4-6-11(12)18-3/h4-7H,1-3H3
InChIKeyKWYDEJZCSMFZLI-UHFFFAOYSA-N
XLogP3.12
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine
CID 116811210
4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine
CID 116811182
2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 55080697
6-(2,6-dimethoxyphenyl)-2,4-dimethyl-3-phenylpyridine
CID 122206647
2-chloro-4,6-dimethylpyrimidine
CID 20550
4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine
CID 39819500
2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine
CID 115502925
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 114165599
2-[4-(chloromethyl)-2,6-dimethoxyphenyl]-9-(2,6-dimethoxyphenyl)-1,10-phenanthroline
CID 11813089
6-(2,6-dimethoxyphenyl)-2-methylsulfanylpyrimidin-4-amine
CID 119063934
2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine
CID 62477434
2-chloro-8-methoxy-4-methylquinazoline
CID 59199295

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine?
The IUPAC name of 2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine (CID 116811184) is 2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine is COc1cccc(OC)c1-c1cc(C)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine?
The InChIKey is KWYDEJZCSMFZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8-7-9(16-13(14)15-8)12-10(17-2)5-4-6-11(12)18-3/h4-7H,1-3H3.
What are the key properties of 2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine?
2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine has a molecular weight of 264.71 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine is sourced from PubChem (CID 116811184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).