4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine

C11H8BrClN2O — CID 62477097

IUPAC4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine
SMILESCc1cc(Oc2ccccc2Br)nc(Cl)n1
InChIInChI=1S/C11H8BrClN2O/c1-7-6-10(15-11(13)14-7)16-9-5-3-2-4-8(9)12/h2-6H,1H3
InChIKeyLDRWYXBWPRUQBG-UHFFFAOYSA-N
MW299.56 g/mol
LogP3.99
Rot. Bonds2

About 4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine

4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine (PubChem CID 62477097) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine.

Molecular Properties

Compound Name4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine
PubChem CID62477097
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine
SMILESCc1cc(Oc2ccccc2Br)nc(Cl)n1
InChIInChI=1S/C11H8BrClN2O/c1-7-6-10(15-11(13)14-7)16-9-5-3-2-4-8(9)12/h2-6H,1H3
InChIKeyLDRWYXBWPRUQBG-UHFFFAOYSA-N
XLogP3.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine
CID 55080992
2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine
CID 62477434
2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine
CID 55080893
4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 103319762
4-(2-tert-butyl-5-methylphenoxy)-2-chloro-6-methylpyrimidine
CID 63506097
2,6-bis(2-bromophenoxy)pyrazine
CID 177456586
4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline
CID 63504641
2-(2-bromophenoxy)-6-methoxypyridine
CID 63589312
2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine
CID 160610783
2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124799
2-(2-bromophenoxy)-6-methylpyrimidin-4-amine
CID 90313951
1-bromo-2-(2-bromophenoxy)benzene
CID 3465096

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine?
The IUPAC name of 4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine (CID 62477097) is 4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine.
What is the SMILES notation for 4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine?
The canonical SMILES for 4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine is Cc1cc(Oc2ccccc2Br)nc(Cl)n1.
What is the InChIKey of 4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine?
The InChIKey is LDRWYXBWPRUQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c1-7-6-10(15-11(13)14-7)16-9-5-3-2-4-8(9)12/h2-6H,1H3.
What are the key properties of 4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine?
4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine has a molecular weight of 299.56 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine is sourced from PubChem (CID 62477097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).