4-(fluoromethyl)-2-methylsulfanylpyrimidine

C6H7FN2S — CID 88974978

IUPAC4-(fluoromethyl)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(CF)n1
InChIInChI=1S/C6H7FN2S/c1-10-6-8-3-2-5(4-7)9-6/h2-3H,4H2,1H3
InChIKeyQCMWPKKITSVMMN-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.67
Rot. Bonds2

About 4-(fluoromethyl)-2-methylsulfanylpyrimidine

4-(fluoromethyl)-2-methylsulfanylpyrimidine (PubChem CID 88974978) has the molecular formula C6H7FN2S and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(fluoromethyl)-2-methylsulfanylpyrimidine
PubChem CID88974978
Molecular FormulaC6H7FN2S
Molecular Weight158.20 g/mol
Exact Mass158.03
IUPAC Name4-(fluoromethyl)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(CF)n1
InChIInChI=1S/C6H7FN2S/c1-10-6-8-3-2-5(4-7)9-6/h2-3H,4H2,1H3
InChIKeyQCMWPKKITSVMMN-UHFFFAOYSA-N
XLogP1.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-(fluoromethyl)-2-methylsulfanylpyrimidine (CID 88974978) is 4-(fluoromethyl)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(fluoromethyl)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-(fluoromethyl)-2-methylsulfanylpyrimidine is CSc1nccc(CF)n1.
What is the InChIKey of 4-(fluoromethyl)-2-methylsulfanylpyrimidine?
The InChIKey is QCMWPKKITSVMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2S/c1-10-6-8-3-2-5(4-7)9-6/h2-3H,4H2,1H3.
What are the key properties of 4-(fluoromethyl)-2-methylsulfanylpyrimidine?
4-(fluoromethyl)-2-methylsulfanylpyrimidine has a molecular weight of 158.20 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 88974978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).