4-butan-2-ylsulfanyl-6-chloro-2,5-dimethylpyrimidine

C10H15ClN2S — CID 63728552

IUPAC4-butan-2-ylsulfanyl-6-chloro-2,5-dimethylpyrimidine
SMILESCCC(C)Sc1nc(C)nc(Cl)c1C
InChIInChI=1S/C10H15ClN2S/c1-5-6(2)14-10-7(3)9(11)12-8(4)13-10/h6H,5H2,1-4H3
InChIKeyQNRZBYPLJRTQMU-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.64
Rot. Bonds3

About 4-butan-2-ylsulfanyl-6-chloro-2,5-dimethylpyrimidine

4-butan-2-ylsulfanyl-6-chloro-2,5-dimethylpyrimidine (PubChem CID 63728552) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 4-butan-2-ylsulfanyl-6-chloro-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-butan-2-ylsulfanyl-6-chloro-2,5-dimethylpyrimidine
PubChem CID63728552
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name4-butan-2-ylsulfanyl-6-chloro-2,5-dimethylpyrimidine
SMILESCCC(C)Sc1nc(C)nc(Cl)c1C
InChIInChI=1S/C10H15ClN2S/c1-5-6(2)14-10-7(3)9(11)12-8(4)13-10/h6H,5H2,1-4H3
InChIKeyQNRZBYPLJRTQMU-UHFFFAOYSA-N
XLogP3.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfanyl-6-chloro-2,5-dimethylpyrimidine?
The IUPAC name of 4-butan-2-ylsulfanyl-6-chloro-2,5-dimethylpyrimidine (CID 63728552) is 4-butan-2-ylsulfanyl-6-chloro-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-butan-2-ylsulfanyl-6-chloro-2,5-dimethylpyrimidine?
The canonical SMILES for 4-butan-2-ylsulfanyl-6-chloro-2,5-dimethylpyrimidine is CCC(C)Sc1nc(C)nc(Cl)c1C.
What is the InChIKey of 4-butan-2-ylsulfanyl-6-chloro-2,5-dimethylpyrimidine?
The InChIKey is QNRZBYPLJRTQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-5-6(2)14-10-7(3)9(11)12-8(4)13-10/h6H,5H2,1-4H3.
What are the key properties of 4-butan-2-ylsulfanyl-6-chloro-2,5-dimethylpyrimidine?
4-butan-2-ylsulfanyl-6-chloro-2,5-dimethylpyrimidine has a molecular weight of 230.76 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfanyl-6-chloro-2,5-dimethylpyrimidine is sourced from PubChem (CID 63728552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).