4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine

C12H9BrCl2N2O2 — CID 107089155

IUPAC4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
SMILESCOc1ccc(Oc2ncnc(Cl)c2CCl)c(Br)c1
InChIInChI=1S/C12H9BrCl2N2O2/c1-18-7-2-3-10(9(13)4-7)19-12-8(5-14)11(15)16-6-17-12/h2-4,6H,5H2,1H3
InChIKeyGCFSZNMJICJBCC-UHFFFAOYSA-N
MW364.03 g/mol
LogP4.43
Rot. Bonds4

About 4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine

4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine (PubChem CID 107089155) has the molecular formula C12H9BrCl2N2O2 and a molecular weight of 364.03 g/mol. Its IUPAC name is 4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine.

Molecular Properties

Compound Name4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
PubChem CID107089155
Molecular FormulaC12H9BrCl2N2O2
Molecular Weight364.03 g/mol
Exact Mass361.92
IUPAC Name4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
SMILESCOc1ccc(Oc2ncnc(Cl)c2CCl)c(Br)c1
InChIInChI=1S/C12H9BrCl2N2O2/c1-18-7-2-3-10(9(13)4-7)19-12-8(5-14)11(15)16-6-17-12/h2-4,6H,5H2,1H3
InChIKeyGCFSZNMJICJBCC-UHFFFAOYSA-N
XLogP4.43
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.03
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-(chloromethyl)-6-(5-methoxy-2-nitrophenoxy)pyrimidine
CID 107089340
4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine
CID 107087892
6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine
CID 104708785
4-chloro-5-(chloromethyl)-6-(2,4-dimethylphenoxy)pyrimidine
CID 107086680
3-[6-chloro-5-(chloromethyl)pyrimidin-4-yl]oxy-5-methoxybenzonitrile
CID 107089459
4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine
CID 55228710
4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine
CID 107087636
5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine
CID 104707066
4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine
CID 107087736
4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine
CID 104707040
4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine
CID 104706575
4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine
CID 107088182

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine?
The IUPAC name of 4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine (CID 107089155) is 4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine.
What is the SMILES notation for 4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine?
The canonical SMILES for 4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine is COc1ccc(Oc2ncnc(Cl)c2CCl)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine?
The InChIKey is GCFSZNMJICJBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O2/c1-18-7-2-3-10(9(13)4-7)19-12-8(5-14)11(15)16-6-17-12/h2-4,6H,5H2,1H3.
What are the key properties of 4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine?
4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine has a molecular weight of 364.03 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine is sourced from PubChem (CID 107089155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).