2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine

C14H15BrN2OS — CID 65326097

IUPAC2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine
SMILESCOc1ccc(Br)c(CSc2nc(C)cc(C)n2)c1
InChIInChI=1S/C14H15BrN2OS/c1-9-6-10(2)17-14(16-9)19-8-11-7-12(18-3)4-5-13(11)15/h4-7H,8H2,1-3H3
InChIKeyOQWNBWPGIPNAFH-UHFFFAOYSA-N
MW339.26 g/mol
LogP4.16
Rot. Bonds4

About 2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine

2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine (PubChem CID 65326097) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine
PubChem CID65326097
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine
SMILESCOc1ccc(Br)c(CSc2nc(C)cc(C)n2)c1
InChIInChI=1S/C14H15BrN2OS/c1-9-6-10(2)17-14(16-9)19-8-11-7-12(18-3)4-5-13(11)15/h4-7H,8H2,1-3H3
InChIKeyOQWNBWPGIPNAFH-UHFFFAOYSA-N
XLogP4.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-oxazole
CID 106924339
1-bromo-4-methoxy-2-[(3-methylphenyl)sulfanylmethyl]benzene
CID 65325949
1-bromo-4-methoxy-2-[(4-methylsulfonylphenyl)sulfanylmethyl]benzene
CID 65326390
2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]pyrazine
CID 65326391
1-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-4-methoxybenzene
CID 65326046
1-bromo-4-methoxy-2-[(4-nitrophenyl)sulfanylmethyl]benzene
CID 65325750
3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-2-methylaniline
CID 79143942
5-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
CID 65322920
1-bromo-2-[(2,5-difluorophenyl)sulfanylmethyl]-4-methoxybenzene
CID 65325800
1-bromo-4-methoxy-2-(3-methylbutan-2-ylsulfanylmethyl)benzene
CID 107754262
[5-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 65322969
2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-3H-benzimidazol-5-amine
CID 65327093

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine (CID 65326097) is 2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine is COc1ccc(Br)c(CSc2nc(C)cc(C)n2)c1.
What is the InChIKey of 2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine?
The InChIKey is OQWNBWPGIPNAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-9-6-10(2)17-14(16-9)19-8-11-7-12(18-3)4-5-13(11)15/h4-7H,8H2,1-3H3.
What are the key properties of 2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine?
2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine has a molecular weight of 339.26 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 65326097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).