ethane;2-ethylsulfanyl-4-methylpyrimidine

C9H16N2S — CID 142171330

IUPACethane;2-ethylsulfanyl-4-methylpyrimidine
SMILESCC.CCSc1nccc(C)n1
InChIInChI=1S/C7H10N2S.C2H6/c1-3-10-7-8-5-4-6(2)9-7;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyWBQZEFLAJOYQRL-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.92
Rot. Bonds2

About ethane;2-ethylsulfanyl-4-methylpyrimidine

ethane;2-ethylsulfanyl-4-methylpyrimidine (PubChem CID 142171330) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is ethane;2-ethylsulfanyl-4-methylpyrimidine.

Molecular Properties

Compound Nameethane;2-ethylsulfanyl-4-methylpyrimidine
PubChem CID142171330
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Nameethane;2-ethylsulfanyl-4-methylpyrimidine
SMILESCC.CCSc1nccc(C)n1
InChIInChI=1S/C7H10N2S.C2H6/c1-3-10-7-8-5-4-6(2)9-7;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyWBQZEFLAJOYQRL-UHFFFAOYSA-N
XLogP2.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylsulfanyl-4-methylpyrimidine?
The IUPAC name of ethane;2-ethylsulfanyl-4-methylpyrimidine (CID 142171330) is ethane;2-ethylsulfanyl-4-methylpyrimidine.
What is the SMILES notation for ethane;2-ethylsulfanyl-4-methylpyrimidine?
The canonical SMILES for ethane;2-ethylsulfanyl-4-methylpyrimidine is CC.CCSc1nccc(C)n1.
What is the InChIKey of ethane;2-ethylsulfanyl-4-methylpyrimidine?
The InChIKey is WBQZEFLAJOYQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S.C2H6/c1-3-10-7-8-5-4-6(2)9-7;1-2/h4-5H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethylsulfanyl-4-methylpyrimidine?
ethane;2-ethylsulfanyl-4-methylpyrimidine has a molecular weight of 184.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylsulfanyl-4-methylpyrimidine is sourced from PubChem (CID 142171330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).