5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine

C12H9Cl3N2O — CID 83184065

IUPAC5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine
SMILESCc1nc(Oc2cc(Cl)ccc2Cl)ncc1CCl
InChIInChI=1S/C12H9Cl3N2O/c1-7-8(5-13)6-16-12(17-7)18-11-4-9(14)2-3-10(11)15/h2-4,6H,5H2,1H3
InChIKeyBTRZQCPWWXSJMO-UHFFFAOYSA-N
MW303.58 g/mol
LogP4.62
Rot. Bonds3

About 5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine

5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine (PubChem CID 83184065) has the molecular formula C12H9Cl3N2O and a molecular weight of 303.58 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine
PubChem CID83184065
Molecular FormulaC12H9Cl3N2O
Molecular Weight303.58 g/mol
Exact Mass301.98
IUPAC Name5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine
SMILESCc1nc(Oc2cc(Cl)ccc2Cl)ncc1CCl
InChIInChI=1S/C12H9Cl3N2O/c1-7-8(5-13)6-16-12(17-7)18-11-4-9(14)2-3-10(11)15/h2-4,6H,5H2,1H3
InChIKeyBTRZQCPWWXSJMO-UHFFFAOYSA-N
XLogP4.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 54.62
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

[2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
CID 83184031
2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine
CID 83184428
4-(chloromethyl)-1-(2,5-dichlorophenoxy)isoquinoline
CID 106769473
1-[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83188917
N-[[2-(5-chloro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189159
[2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
CID 107660009
N-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83187779
2-(2,5-dichlorophenoxy)-5-iodopyrimidine
CID 104839856
2-(3-bromophenoxy)-5-(chloromethyl)-4-methylpyrimidine
CID 83184509
5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine
CID 83184425
N-[[2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 107660821
[2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189144

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine?
The IUPAC name of 5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine (CID 83184065) is 5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine.
What is the SMILES notation for 5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine?
The canonical SMILES for 5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine is Cc1nc(Oc2cc(Cl)ccc2Cl)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine?
The InChIKey is BTRZQCPWWXSJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O/c1-7-8(5-13)6-16-12(17-7)18-11-4-9(14)2-3-10(11)15/h2-4,6H,5H2,1H3.
What are the key properties of 5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine?
5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine has a molecular weight of 303.58 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine is sourced from PubChem (CID 83184065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).