2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine

C12H11BrCl2N2S — CID 102842725

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1cc(Cl)nc(-c2cc(Br)c(Cl)s2)n1
InChIInChI=1S/C12H11BrCl2N2S/c1-6(2)3-7-4-10(14)17-12(16-7)9-5-8(13)11(15)18-9/h4-6H,3H2,1-2H3
InChIKeyPOYXJLZQVKGIES-UHFFFAOYSA-N
MW366.11 g/mol
LogP5.47
Rot. Bonds3

About 2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine

2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine (PubChem CID 102842725) has the molecular formula C12H11BrCl2N2S and a molecular weight of 366.11 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine
PubChem CID102842725
Molecular FormulaC12H11BrCl2N2S
Molecular Weight366.11 g/mol
Exact Mass363.92
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1cc(Cl)nc(-c2cc(Br)c(Cl)s2)n1
InChIInChI=1S/C12H11BrCl2N2S/c1-6(2)3-7-4-10(14)17-12(16-7)9-5-8(13)11(15)18-9/h4-6H,3H2,1-2H3
InChIKeyPOYXJLZQVKGIES-UHFFFAOYSA-N
XLogP5.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.11
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 102844107
2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
CID 81436026
2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-methyl-5-propan-2-ylpyrimidine
CID 102842540
4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine
CID 79421610
4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine
CID 81313415
5-bromo-2-(4-bromo-5-chlorothiophen-2-yl)-6-ethylpyrimidin-4-amine
CID 102843991
4-chloro-2-(4-chloro-2-methylphenyl)-6-(2-methylpropyl)pyrimidine
CID 114076086
4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine
CID 102842723
2-(4-bromo-5-chlorothiophen-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 102844027
7-bromo-4-chloro-8-methyl-2-(2-methylpropyl)quinoline
CID 107628134
4-chloro-2-(2,2-dimethylcyclopropyl)-6-(2-methylpropyl)pyrimidine
CID 107925449
2-(4-bromo-5-chlorothiophen-2-yl)-4-(chloromethyl)-1,3-thiazole
CID 102842144

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine (CID 102842725) is 2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine is CC(C)Cc1cc(Cl)nc(-c2cc(Br)c(Cl)s2)n1.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine?
The InChIKey is POYXJLZQVKGIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrCl2N2S/c1-6(2)3-7-4-10(14)17-12(16-7)9-5-8(13)11(15)18-9/h4-6H,3H2,1-2H3.
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine?
2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine has a molecular weight of 366.11 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 102842725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).