4-tert-butylsulfanyl-6-chloro-2,5-dimethylpyrimidine

C10H15ClN2S — CID 63728562

IUPAC4-tert-butylsulfanyl-6-chloro-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(SC(C)(C)C)n1
InChIInChI=1S/C10H15ClN2S/c1-6-8(11)12-7(2)13-9(6)14-10(3,4)5/h1-5H3
InChIKeyYQOPNXPCPMDXBU-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.64
Rot. Bonds1

About 4-tert-butylsulfanyl-6-chloro-2,5-dimethylpyrimidine

4-tert-butylsulfanyl-6-chloro-2,5-dimethylpyrimidine (PubChem CID 63728562) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-6-chloro-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-tert-butylsulfanyl-6-chloro-2,5-dimethylpyrimidine
PubChem CID63728562
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name4-tert-butylsulfanyl-6-chloro-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(SC(C)(C)C)n1
InChIInChI=1S/C10H15ClN2S/c1-6-8(11)12-7(2)13-9(6)14-10(3,4)5/h1-5H3
InChIKeyYQOPNXPCPMDXBU-UHFFFAOYSA-N
XLogP3.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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-tert-butylsulfanyl-6-chloro-2,5-dimethylpyrimidine?
The IUPAC name of 4-tert-butylsulfanyl-6-chloro-2,5-dimethylpyrimidine (CID 63728562) is 4-tert-butylsulfanyl-6-chloro-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-tert-butylsulfanyl-6-chloro-2,5-dimethylpyrimidine?
The canonical SMILES for 4-tert-butylsulfanyl-6-chloro-2,5-dimethylpyrimidine is Cc1nc(Cl)c(C)c(SC(C)(C)C)n1.
What is the InChIKey of 4-tert-butylsulfanyl-6-chloro-2,5-dimethylpyrimidine?
The InChIKey is YQOPNXPCPMDXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-6-8(11)12-7(2)13-9(6)14-10(3,4)5/h1-5H3.
What are the key properties of 4-tert-butylsulfanyl-6-chloro-2,5-dimethylpyrimidine?
4-tert-butylsulfanyl-6-chloro-2,5-dimethylpyrimidine has a molecular weight of 230.76 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-6-chloro-2,5-dimethylpyrimidine is sourced from PubChem (CID 63728562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).