4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine

C12H10BrClN2S — CID 80936563

IUPAC4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(Sc2cccc(Br)c2)n1
InChIInChI=1S/C12H10BrClN2S/c1-2-11-15-10(14)7-12(16-11)17-9-5-3-4-8(13)6-9/h3-7H,2H2,1H3
InChIKeyNGPRZRXCAXQVRC-UHFFFAOYSA-N
MW329.65 g/mol
LogP4.61
Rot. Bonds3

About 4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine

4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine (PubChem CID 80936563) has the molecular formula C12H10BrClN2S and a molecular weight of 329.65 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine
PubChem CID80936563
Molecular FormulaC12H10BrClN2S
Molecular Weight329.65 g/mol
Exact Mass327.94
IUPAC Name4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(Sc2cccc(Br)c2)n1
InChIInChI=1S/C12H10BrClN2S/c1-2-11-15-10(14)7-12(16-11)17-9-5-3-4-8(13)6-9/h3-7H,2H2,1H3
InChIKeyNGPRZRXCAXQVRC-UHFFFAOYSA-N
XLogP4.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.65
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-ethyl-6-(4-nitrophenyl)sulfanylpyrimidine
CID 80936390
6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine
CID 80995348
[6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine
CID 80947692
[6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine
CID 80939919
5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine
CID 79440116
4-chloro-6-(3,4-dichlorophenyl)sulfanyl-2-propylpyrimidine
CID 80945057
6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80994557
4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine
CID 80936034
4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine
CID 80978438
6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine
CID 80889647
1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene
CID 163695952
4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine
CID 107780879

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine?
The IUPAC name of 4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine (CID 80936563) is 4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine.
What is the SMILES notation for 4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine?
The canonical SMILES for 4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine is CCc1nc(Cl)cc(Sc2cccc(Br)c2)n1.
What is the InChIKey of 4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine?
The InChIKey is NGPRZRXCAXQVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2S/c1-2-11-15-10(14)7-12(16-11)17-9-5-3-4-8(13)6-9/h3-7H,2H2,1H3.
What are the key properties of 4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine?
4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine has a molecular weight of 329.65 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine is sourced from PubChem (CID 80936563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).