2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine

C12H9Cl2FN2O — CID 83184428

IUPAC2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine
SMILESCc1nc(Oc2ccc(F)c(Cl)c2)ncc1CCl
InChIInChI=1S/C12H9Cl2FN2O/c1-7-8(5-13)6-16-12(17-7)18-9-2-3-11(15)10(14)4-9/h2-4,6H,5H2,1H3
InChIKeyAWCLBBOWSJLMGJ-UHFFFAOYSA-N
MW287.12 g/mol
LogP4.11
Rot. Bonds3

About 2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine

2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine (PubChem CID 83184428) has the molecular formula C12H9Cl2FN2O and a molecular weight of 287.12 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine
PubChem CID83184428
Molecular FormulaC12H9Cl2FN2O
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine
SMILESCc1nc(Oc2ccc(F)c(Cl)c2)ncc1CCl
InChIInChI=1S/C12H9Cl2FN2O/c1-7-8(5-13)6-16-12(17-7)18-9-2-3-11(15)10(14)4-9/h2-4,6H,5H2,1H3
InChIKeyAWCLBBOWSJLMGJ-UHFFFAOYSA-N
XLogP4.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine
CID 83184065
2-(3-bromophenoxy)-5-(chloromethyl)-4-methylpyrimidine
CID 83184509
[2-(4-fluoro-3-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83196037
5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine
CID 83184425
N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83186831
N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83186830
2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine
CID 63879150
N-[[2-(3,4-difluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83188179
5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine
CID 116802687
N-[[2-(4-fluoro-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83188621
2-(3-chloro-4-fluorophenoxy)pyrimidine
CID 5045020
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine (CID 83184428) is 2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine is Cc1nc(Oc2ccc(F)c(Cl)c2)ncc1CCl.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine?
The InChIKey is AWCLBBOWSJLMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O/c1-7-8(5-13)6-16-12(17-7)18-9-2-3-11(15)10(14)4-9/h2-4,6H,5H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine?
2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine has a molecular weight of 287.12 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine is sourced from PubChem (CID 83184428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).