5-bromo-2-chloro-4-(2-methoxyphenyl)sulfanylpyrimidine

C11H8BrClN2OS — CID 79072741

IUPAC5-bromo-2-chloro-4-(2-methoxyphenyl)sulfanylpyrimidine
SMILESCOc1ccccc1Sc1nc(Cl)ncc1Br
InChIInChI=1S/C11H8BrClN2OS/c1-16-8-4-2-3-5-9(8)17-10-7(12)6-14-11(13)15-10/h2-6H,1H3
InChIKeyJGTCPLMEJOTYMD-UHFFFAOYSA-N
MW331.62 g/mol
LogP4.05
Rot. Bonds3

About 5-bromo-2-chloro-4-(2-methoxyphenyl)sulfanylpyrimidine

5-bromo-2-chloro-4-(2-methoxyphenyl)sulfanylpyrimidine (PubChem CID 79072741) has the molecular formula C11H8BrClN2OS and a molecular weight of 331.62 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-(2-methoxyphenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-(2-methoxyphenyl)sulfanylpyrimidine
PubChem CID79072741
Molecular FormulaC11H8BrClN2OS
Molecular Weight331.62 g/mol
Exact Mass329.92
IUPAC Name5-bromo-2-chloro-4-(2-methoxyphenyl)sulfanylpyrimidine
SMILESCOc1ccccc1Sc1nc(Cl)ncc1Br
InChIInChI=1S/C11H8BrClN2OS/c1-16-8-4-2-3-5-9(8)17-10-7(12)6-14-11(13)15-10/h2-6H,1H3
InChIKeyJGTCPLMEJOTYMD-UHFFFAOYSA-N
XLogP4.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.62
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-6-(2-methoxyphenyl)sulfanyl-1,3,5-triazine
CID 62868242
2-(5-bromo-2-chloropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 79072544
2-chloro-5-fluoro-4-(2-fluorophenyl)sulfanylpyrimidine
CID 79075915
(2,4-dichloropyrimidin-5-yl)-(2-methoxyphenyl)methanol
CID 59753866
2-chloro-4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62865626
1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80651000
2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine
CID 114070766
5-bromo-4-(2-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80884178
3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide
CID 107060943
4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine
CID 115417343
N-(4-bromophenyl)-3-(2-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine
CID 70166205
N-[[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80639530

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-(2-methoxyphenyl)sulfanylpyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-(2-methoxyphenyl)sulfanylpyrimidine (CID 79072741) is 5-bromo-2-chloro-4-(2-methoxyphenyl)sulfanylpyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-(2-methoxyphenyl)sulfanylpyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-(2-methoxyphenyl)sulfanylpyrimidine is COc1ccccc1Sc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-4-(2-methoxyphenyl)sulfanylpyrimidine?
The InChIKey is JGTCPLMEJOTYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2OS/c1-16-8-4-2-3-5-9(8)17-10-7(12)6-14-11(13)15-10/h2-6H,1H3.
What are the key properties of 5-bromo-2-chloro-4-(2-methoxyphenyl)sulfanylpyrimidine?
5-bromo-2-chloro-4-(2-methoxyphenyl)sulfanylpyrimidine has a molecular weight of 331.62 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-(2-methoxyphenyl)sulfanylpyrimidine is sourced from PubChem (CID 79072741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).