4-cyclopropyl-2-methylsulfanylpyrimidine

C8H10N2S — CID 46739896

IUPAC4-cyclopropyl-2-methylsulfanylpyrimidine
SMILESCSc1nccc(C2CC2)n1
InChIInChI=1S/C8H10N2S/c1-11-8-9-5-4-7(10-8)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyQSFHQUAETOYTCV-UHFFFAOYSA-N
MW166.25 g/mol
LogP2.08
Rot. Bonds2

About 4-cyclopropyl-2-methylsulfanylpyrimidine

4-cyclopropyl-2-methylsulfanylpyrimidine (PubChem CID 46739896) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 4-cyclopropyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-methylsulfanylpyrimidine
PubChem CID46739896
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name4-cyclopropyl-2-methylsulfanylpyrimidine
SMILESCSc1nccc(C2CC2)n1
InChIInChI=1S/C8H10N2S/c1-11-8-9-5-4-7(10-8)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyQSFHQUAETOYTCV-UHFFFAOYSA-N
XLogP2.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methylsulfanylpyrimidine?
The IUPAC name of 4-cyclopropyl-2-methylsulfanylpyrimidine (CID 46739896) is 4-cyclopropyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-cyclopropyl-2-methylsulfanylpyrimidine is CSc1nccc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-2-methylsulfanylpyrimidine?
The InChIKey is QSFHQUAETOYTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-11-8-9-5-4-7(10-8)6-2-3-6/h4-6H,2-3H2,1H3.
What are the key properties of 4-cyclopropyl-2-methylsulfanylpyrimidine?
4-cyclopropyl-2-methylsulfanylpyrimidine has a molecular weight of 166.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 46739896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).