2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine

C13H13ClN2O — CID 62477434

IUPAC2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine
SMILESCc1cc(Oc2cccc(C)c2C)nc(Cl)n1
InChIInChI=1S/C13H13ClN2O/c1-8-5-4-6-11(10(8)3)17-12-7-9(2)15-13(14)16-12/h4-7H,1-3H3
InChIKeyAHUCGJYAVUGBIN-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.85
Rot. Bonds2

About 2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine

2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine (PubChem CID 62477434) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine
PubChem CID62477434
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine
SMILESCc1cc(Oc2cccc(C)c2C)nc(Cl)n1
InChIInChI=1S/C13H13ClN2O/c1-8-5-4-6-11(10(8)3)17-12-7-9(2)15-13(14)16-12/h4-7H,1-3H3
InChIKeyAHUCGJYAVUGBIN-UHFFFAOYSA-N
XLogP3.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine?
The IUPAC name of 2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine (CID 62477434) is 2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine is Cc1cc(Oc2cccc(C)c2C)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine?
The InChIKey is AHUCGJYAVUGBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-8-5-4-6-11(10(8)3)17-12-7-9(2)15-13(14)16-12/h4-7H,1-3H3.
What are the key properties of 2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine?
2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine has a molecular weight of 248.71 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine is sourced from PubChem (CID 62477434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).