2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-methyl-5-propan-2-ylpyrimidine

C12H11BrCl2N2S — CID 102842540

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-methyl-5-propan-2-ylpyrimidine
SMILESCc1nc(-c2cc(Br)c(Cl)s2)nc(Cl)c1C(C)C
InChIInChI=1S/C12H11BrCl2N2S/c1-5(2)9-6(3)16-12(17-10(9)14)8-4-7(13)11(15)18-8/h4-5H,1-3H3
InChIKeyCIOCJIOYIKKIJF-UHFFFAOYSA-N
MW366.11 g/mol
LogP5.71
Rot. Bonds2

About 2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-methyl-5-propan-2-ylpyrimidine

2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-methyl-5-propan-2-ylpyrimidine (PubChem CID 102842540) 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-methyl-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-methyl-5-propan-2-ylpyrimidine
PubChem CID102842540
Molecular FormulaC12H11BrCl2N2S
Molecular Weight366.11 g/mol
Exact Mass363.92
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-methyl-5-propan-2-ylpyrimidine
SMILESCc1nc(-c2cc(Br)c(Cl)s2)nc(Cl)c1C(C)C
InChIInChI=1S/C12H11BrCl2N2S/c1-5(2)9-6(3)16-12(17-10(9)14)8-4-7(13)11(15)18-8/h4-5H,1-3H3
InChIKeyCIOCJIOYIKKIJF-UHFFFAOYSA-N
XLogP5.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.11
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-methyl-5-propan-2-yl-2-thiophen-2-ylpyrimidine
CID 62913706
2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine
CID 102842725
2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 102843763
2-(7-bromo-1,3-benzodioxol-5-yl)-4-chloro-6-methyl-5-propan-2-ylpyrimidine
CID 63405600
2-(4-bromo-5-chlorothiophen-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 102844027
4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 63405768
5-bromo-2-(4-bromo-5-chlorothiophen-2-yl)-6-ethylpyrimidin-4-amine
CID 102843991
2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 105407998
2-(4-bromo-5-chlorothiophen-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964601
2-(4-bromo-5-chlorothiophen-2-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136683089
4-chloro-6-methyl-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine
CID 65195458
2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine
CID 102843847

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-methyl-5-propan-2-ylpyrimidine?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-methyl-5-propan-2-ylpyrimidine (CID 102842540) is 2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-methyl-5-propan-2-ylpyrimidine.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-methyl-5-propan-2-ylpyrimidine?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-methyl-5-propan-2-ylpyrimidine is Cc1nc(-c2cc(Br)c(Cl)s2)nc(Cl)c1C(C)C.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-methyl-5-propan-2-ylpyrimidine?
The InChIKey is CIOCJIOYIKKIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrCl2N2S/c1-5(2)9-6(3)16-12(17-10(9)14)8-4-7(13)11(15)18-8/h4-5H,1-3H3.
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-methyl-5-propan-2-ylpyrimidine?
2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-methyl-5-propan-2-ylpyrimidine has a molecular weight of 366.11 g/mol, XLogP of 5.71, 2 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-methyl-5-propan-2-ylpyrimidine is sourced from PubChem (CID 102842540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).