2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine

C13H12BrClN2O2 — CID 83140307

IUPAC2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine
SMILESCOc1cccc(Br)c1OCc1nc(C)cc(Cl)n1
InChIInChI=1S/C13H12BrClN2O2/c1-8-6-11(15)17-12(16-8)7-19-13-9(14)4-3-5-10(13)18-2/h3-6H,7H2,1-2H3
InChIKeyDRSKSGXRAIXHPT-UHFFFAOYSA-N
MW343.61 g/mol
LogP3.79
Rot. Bonds4

About 2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine

2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine (PubChem CID 83140307) has the molecular formula C13H12BrClN2O2 and a molecular weight of 343.61 g/mol. Its IUPAC name is 2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine.

Molecular Properties

Compound Name2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine
PubChem CID83140307
Molecular FormulaC13H12BrClN2O2
Molecular Weight343.61 g/mol
Exact Mass341.98
IUPAC Name2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine
SMILESCOc1cccc(Br)c1OCc1nc(C)cc(Cl)n1
InChIInChI=1S/C13H12BrClN2O2/c1-8-6-11(15)17-12(16-8)7-19-13-9(14)4-3-5-10(13)18-2/h3-6H,7H2,1-2H3
InChIKeyDRSKSGXRAIXHPT-UHFFFAOYSA-N
XLogP3.79
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine
CID 15561345
8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline
CID 80656920
4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine
CID 15561342
[6-[(2-bromo-6-methoxyphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
CID 83140587
2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 114672189
6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine
CID 83140412
3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline
CID 80664031
2-[(4-tert-butyl-2-methylphenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 80656918
4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine
CID 82169602
5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline
CID 83141041
4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole
CID 83140822
2-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]acetonitrile
CID 80663555

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine?
The IUPAC name of 2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine (CID 83140307) is 2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine.
What is the SMILES notation for 2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine?
The canonical SMILES for 2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine is COc1cccc(Br)c1OCc1nc(C)cc(Cl)n1.
What is the InChIKey of 2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine?
The InChIKey is DRSKSGXRAIXHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2/c1-8-6-11(15)17-12(16-8)7-19-13-9(14)4-3-5-10(13)18-2/h3-6H,7H2,1-2H3.
What are the key properties of 2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine?
2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine has a molecular weight of 343.61 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine is sourced from PubChem (CID 83140307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).