2,4-bis(tert-butylsulfanyl)-6-methylpyrimidine

C13H22N2S2 — CID 13092981

IUPAC2,4-bis(tert-butylsulfanyl)-6-methylpyrimidine
SMILESCc1cc(SC(C)(C)C)nc(SC(C)(C)C)n1
InChIInChI=1S/C13H22N2S2/c1-9-8-10(16-12(2,3)4)15-11(14-9)17-13(5,6)7/h8H,1-7H3
InChIKeyHHUFMAYUGSFRTF-UHFFFAOYSA-N
MW270.47 g/mol
LogP4.57
Rot. Bonds2

About 2,4-bis(tert-butylsulfanyl)-6-methylpyrimidine

2,4-bis(tert-butylsulfanyl)-6-methylpyrimidine (PubChem CID 13092981) has the molecular formula C13H22N2S2 and a molecular weight of 270.47 g/mol. Its IUPAC name is 2,4-bis(tert-butylsulfanyl)-6-methylpyrimidine.

Molecular Properties

Compound Name2,4-bis(tert-butylsulfanyl)-6-methylpyrimidine
PubChem CID13092981
Molecular FormulaC13H22N2S2
Molecular Weight270.47 g/mol
Exact Mass270.12
IUPAC Name2,4-bis(tert-butylsulfanyl)-6-methylpyrimidine
SMILESCc1cc(SC(C)(C)C)nc(SC(C)(C)C)n1
InChIInChI=1S/C13H22N2S2/c1-9-8-10(16-12(2,3)4)15-11(14-9)17-13(5,6)7/h8H,1-7H3
InChIKeyHHUFMAYUGSFRTF-UHFFFAOYSA-N
XLogP4.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(tert-butylsulfanyl)-6-methylpyrimidine?
The IUPAC name of 2,4-bis(tert-butylsulfanyl)-6-methylpyrimidine (CID 13092981) is 2,4-bis(tert-butylsulfanyl)-6-methylpyrimidine.
What is the SMILES notation for 2,4-bis(tert-butylsulfanyl)-6-methylpyrimidine?
The canonical SMILES for 2,4-bis(tert-butylsulfanyl)-6-methylpyrimidine is Cc1cc(SC(C)(C)C)nc(SC(C)(C)C)n1.
What is the InChIKey of 2,4-bis(tert-butylsulfanyl)-6-methylpyrimidine?
The InChIKey is HHUFMAYUGSFRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S2/c1-9-8-10(16-12(2,3)4)15-11(14-9)17-13(5,6)7/h8H,1-7H3.
What are the key properties of 2,4-bis(tert-butylsulfanyl)-6-methylpyrimidine?
2,4-bis(tert-butylsulfanyl)-6-methylpyrimidine has a molecular weight of 270.47 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(tert-butylsulfanyl)-6-methylpyrimidine is sourced from PubChem (CID 13092981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).