4-chloro-2-[2-(3,4-dimethylphenoxy)ethyl]-6-methoxypyrimidine

C15H17ClN2O2 — CID 82169515

IUPAC4-chloro-2-[2-(3,4-dimethylphenoxy)ethyl]-6-methoxypyrimidine
SMILESCOc1cc(Cl)nc(CCOc2ccc(C)c(C)c2)n1
InChIInChI=1S/C15H17ClN2O2/c1-10-4-5-12(8-11(10)2)20-7-6-14-17-13(16)9-15(18-14)19-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyJZDRKQAGHGPEMP-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.38
Rot. Bonds5

About 4-chloro-2-[2-(3,4-dimethylphenoxy)ethyl]-6-methoxypyrimidine

4-chloro-2-[2-(3,4-dimethylphenoxy)ethyl]-6-methoxypyrimidine (PubChem CID 82169515) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-2-[2-(3,4-dimethylphenoxy)ethyl]-6-methoxypyrimidine.

Molecular Properties

Compound Name4-chloro-2-[2-(3,4-dimethylphenoxy)ethyl]-6-methoxypyrimidine
PubChem CID82169515
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-chloro-2-[2-(3,4-dimethylphenoxy)ethyl]-6-methoxypyrimidine
SMILESCOc1cc(Cl)nc(CCOc2ccc(C)c(C)c2)n1
InChIInChI=1S/C15H17ClN2O2/c1-10-4-5-12(8-11(10)2)20-7-6-14-17-13(16)9-15(18-14)19-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyJZDRKQAGHGPEMP-UHFFFAOYSA-N
XLogP3.38
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(3,4-dimethylphenoxy)ethyl]-6-methoxypyrimidine?
The IUPAC name of 4-chloro-2-[2-(3,4-dimethylphenoxy)ethyl]-6-methoxypyrimidine (CID 82169515) is 4-chloro-2-[2-(3,4-dimethylphenoxy)ethyl]-6-methoxypyrimidine.
What is the SMILES notation for 4-chloro-2-[2-(3,4-dimethylphenoxy)ethyl]-6-methoxypyrimidine?
The canonical SMILES for 4-chloro-2-[2-(3,4-dimethylphenoxy)ethyl]-6-methoxypyrimidine is COc1cc(Cl)nc(CCOc2ccc(C)c(C)c2)n1.
What is the InChIKey of 4-chloro-2-[2-(3,4-dimethylphenoxy)ethyl]-6-methoxypyrimidine?
The InChIKey is JZDRKQAGHGPEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10-4-5-12(8-11(10)2)20-7-6-14-17-13(16)9-15(18-14)19-3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 4-chloro-2-[2-(3,4-dimethylphenoxy)ethyl]-6-methoxypyrimidine?
4-chloro-2-[2-(3,4-dimethylphenoxy)ethyl]-6-methoxypyrimidine has a molecular weight of 292.77 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(3,4-dimethylphenoxy)ethyl]-6-methoxypyrimidine is sourced from PubChem (CID 82169515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).