5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine

C11H14BrClN2S — CID 80622284

IUPAC5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine
SMILESCCc1nc(C2CCCCS2)nc(Cl)c1Br
InChIInChI=1S/C11H14BrClN2S/c1-2-7-9(12)10(13)15-11(14-7)8-5-3-4-6-16-8/h8H,2-6H2,1H3
InChIKeyUCFABJJKXQIGSP-UHFFFAOYSA-N
MW321.67 g/mol
LogP4.41
Rot. Bonds2

About 5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine

5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine (PubChem CID 80622284) has the molecular formula C11H14BrClN2S and a molecular weight of 321.67 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine
PubChem CID80622284
Molecular FormulaC11H14BrClN2S
Molecular Weight321.67 g/mol
Exact Mass319.97
IUPAC Name5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine
SMILESCCc1nc(C2CCCCS2)nc(Cl)c1Br
InChIInChI=1S/C11H14BrClN2S/c1-2-7-9(12)10(13)15-11(14-7)8-5-3-4-6-16-8/h8H,2-6H2,1H3
InChIKeyUCFABJJKXQIGSP-UHFFFAOYSA-N
XLogP4.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.67
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-2-(1,4-dithian-2-yl)-6-ethylpyrimidine
CID 79972998
5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine
CID 66292583
5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine
CID 80638975
5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine
CID 66294218
5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine
CID 66294833
5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine
CID 66292539
5-bromo-4-chloro-2-(thian-2-yl)pyrimidine
CID 80622982
6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine
CID 80638386
4-chloro-5-iodo-6-(methoxymethyl)-2-(thiolan-2-yl)pyrimidine
CID 80622750
5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine
CID 66293970
5-bromo-4-chloro-6-ethyl-2-(5-methyloxolan-2-yl)pyrimidine
CID 82836731
3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336186

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine (CID 80622284) is 5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine is CCc1nc(C2CCCCS2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine?
The InChIKey is UCFABJJKXQIGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2S/c1-2-7-9(12)10(13)15-11(14-7)8-5-3-4-6-16-8/h8H,2-6H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine?
5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine has a molecular weight of 321.67 g/mol, XLogP of 4.41, 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-ethyl-2-(thian-2-yl)pyrimidine is sourced from PubChem (CID 80622284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).