4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine

C11H6Cl4N2O — CID 107087892

IUPAC4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine
SMILESClCc1c(Cl)ncnc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H6Cl4N2O/c12-4-7-10(15)16-5-17-11(7)18-6-1-2-8(13)9(14)3-6/h1-3,5H,4H2
InChIKeyYSWOLZRBMYLHGE-UHFFFAOYSA-N
MW323.99 g/mol
LogP4.97
Rot. Bonds3

About 4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine

4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine (PubChem CID 107087892) has the molecular formula C11H6Cl4N2O and a molecular weight of 323.99 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine
PubChem CID107087892
Molecular FormulaC11H6Cl4N2O
Molecular Weight323.99 g/mol
Exact Mass321.92
IUPAC Name4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine
SMILESClCc1c(Cl)ncnc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H6Cl4N2O/c12-4-7-10(15)16-5-17-11(7)18-6-1-2-8(13)9(14)3-6/h1-3,5H,4H2
InChIKeyYSWOLZRBMYLHGE-UHFFFAOYSA-N
XLogP4.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.99
LogP ≤ 54.97
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

4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine
CID 107088182
4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine
CID 55230242
4-(3-tert-butylphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
CID 107087589
4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine
CID 107087552
4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine
CID 63878128
4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine
CID 107087636
4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
CID 107089155
4-chloro-5-(chloromethyl)-6-(2,4-dimethylphenoxy)pyrimidine
CID 107086680
6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80875220
3-[6-chloro-5-(chloromethyl)pyrimidin-4-yl]oxy-5-methoxybenzonitrile
CID 107089459
4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine
CID 60726316
4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine
CID 107087736

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine?
The IUPAC name of 4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine (CID 107087892) is 4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine?
The canonical SMILES for 4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine is ClCc1c(Cl)ncnc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine?
The InChIKey is YSWOLZRBMYLHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl4N2O/c12-4-7-10(15)16-5-17-11(7)18-6-1-2-8(13)9(14)3-6/h1-3,5H,4H2.
What are the key properties of 4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine?
4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine has a molecular weight of 323.99 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine is sourced from PubChem (CID 107087892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).