2-(tert-butylsulfanylmethyl)-4-chloro-6-ethylpyrimidine

C11H17ClN2S — CID 65133411

IUPAC2-(tert-butylsulfanylmethyl)-4-chloro-6-ethylpyrimidine
SMILESCCc1cc(Cl)nc(CSC(C)(C)C)n1
InChIInChI=1S/C11H17ClN2S/c1-5-8-6-9(12)14-10(13-8)7-15-11(2,3)4/h6H,5,7H2,1-4H3
InChIKeyHSHYKUQOEUEIKN-UHFFFAOYSA-N
MW244.79 g/mol
LogP3.72
Rot. Bonds3

About 2-(tert-butylsulfanylmethyl)-4-chloro-6-ethylpyrimidine

2-(tert-butylsulfanylmethyl)-4-chloro-6-ethylpyrimidine (PubChem CID 65133411) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 2-(tert-butylsulfanylmethyl)-4-chloro-6-ethylpyrimidine.

Molecular Properties

Compound Name2-(tert-butylsulfanylmethyl)-4-chloro-6-ethylpyrimidine
PubChem CID65133411
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name2-(tert-butylsulfanylmethyl)-4-chloro-6-ethylpyrimidine
SMILESCCc1cc(Cl)nc(CSC(C)(C)C)n1
InChIInChI=1S/C11H17ClN2S/c1-5-8-6-9(12)14-10(13-8)7-15-11(2,3)4/h6H,5,7H2,1-4H3
InChIKeyHSHYKUQOEUEIKN-UHFFFAOYSA-N
XLogP3.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfanylmethyl)-4-chloro-6-ethylpyrimidine?
The IUPAC name of 2-(tert-butylsulfanylmethyl)-4-chloro-6-ethylpyrimidine (CID 65133411) is 2-(tert-butylsulfanylmethyl)-4-chloro-6-ethylpyrimidine.
What is the SMILES notation for 2-(tert-butylsulfanylmethyl)-4-chloro-6-ethylpyrimidine?
The canonical SMILES for 2-(tert-butylsulfanylmethyl)-4-chloro-6-ethylpyrimidine is CCc1cc(Cl)nc(CSC(C)(C)C)n1.
What is the InChIKey of 2-(tert-butylsulfanylmethyl)-4-chloro-6-ethylpyrimidine?
The InChIKey is HSHYKUQOEUEIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-5-8-6-9(12)14-10(13-8)7-15-11(2,3)4/h6H,5,7H2,1-4H3.
What are the key properties of 2-(tert-butylsulfanylmethyl)-4-chloro-6-ethylpyrimidine?
2-(tert-butylsulfanylmethyl)-4-chloro-6-ethylpyrimidine has a molecular weight of 244.79 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfanylmethyl)-4-chloro-6-ethylpyrimidine is sourced from PubChem (CID 65133411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).