5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine

C10H8BrClN2S — CID 66294351

IUPAC5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine
SMILESCc1nc(Cc2cccs2)nc(Cl)c1Br
InChIInChI=1S/C10H8BrClN2S/c1-6-9(11)10(12)14-8(13-6)5-7-3-2-4-15-7/h2-4H,5H2,1H3
InChIKeyFQVKSOKJTMQHLN-UHFFFAOYSA-N
MW303.61 g/mol
LogP3.85
Rot. Bonds2

About 5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine

5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine (PubChem CID 66294351) has the molecular formula C10H8BrClN2S and a molecular weight of 303.61 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine
PubChem CID66294351
Molecular FormulaC10H8BrClN2S
Molecular Weight303.61 g/mol
Exact Mass301.93
IUPAC Name5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine
SMILESCc1nc(Cc2cccs2)nc(Cl)c1Br
InChIInChI=1S/C10H8BrClN2S/c1-6-9(11)10(12)14-8(13-6)5-7-3-2-4-15-7/h2-4H,5H2,1H3
InChIKeyFQVKSOKJTMQHLN-UHFFFAOYSA-N
XLogP3.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.61
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-Bromothiophen-2-yl)-2,6-dichloropyrimidine
CID 65712087
4-(4-Bromothiophen-2-yl)-2,6-dichloropyrimidine
CID 82308797
5-Bromo-2,4-dichloro-6-thiophen-2-ylpyrimidine
CID 14117946
2,4-Dichloro-5-fluoro-6-(thiophen-2-yl)pyrimidine
CID 135394943
2,4-Dichloro-5-fluoro-6-(5-methylthiophen-2-yl)pyrimidine
CID 141520446
2,4-Dichloro-5-methyl-6-thiophen-2-ylpyrimidine
CID 65712870
2-(4-Bromothiophen-2-yl)-4-chloro-5-fluoro-6-methylpyrimidine
CID 65997640
4-Chloro-5-fluoro-6-methyl-2-thiophen-2-ylpyrimidine
CID 65997843
2-(4-Bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-amine
CID 65997976
2-(4-bromothiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 65998187
4-Chloro-5-fluoro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine
CID 65998441
4-Chloro-2-(5-ethylthiophen-2-yl)-5-fluoro-6-methylpyrimidine
CID 65998449

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine (CID 66294351) is 5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine is Cc1nc(Cc2cccs2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine?
The InChIKey is FQVKSOKJTMQHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2S/c1-6-9(11)10(12)14-8(13-6)5-7-3-2-4-15-7/h2-4H,5H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine?
5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine has a molecular weight of 303.61 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine is sourced from PubChem (CID 66294351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).