2-cyclopropyl-5-fluoro-4-methyl-6-methylsulfanylpyrimidine

C9H11FN2S — CID 126992012

IUPAC2-cyclopropyl-5-fluoro-4-methyl-6-methylsulfanylpyrimidine
SMILESCSc1nc(C2CC2)nc(C)c1F
InChIInChI=1S/C9H11FN2S/c1-5-7(10)9(13-2)12-8(11-5)6-3-4-6/h6H,3-4H2,1-2H3
InChIKeyHZECVISHZPCLGU-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.52
Rot. Bonds2

About 2-cyclopropyl-5-fluoro-4-methyl-6-methylsulfanylpyrimidine

2-cyclopropyl-5-fluoro-4-methyl-6-methylsulfanylpyrimidine (PubChem CID 126992012) has the molecular formula C9H11FN2S and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-cyclopropyl-5-fluoro-4-methyl-6-methylsulfanylpyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-5-fluoro-4-methyl-6-methylsulfanylpyrimidine
PubChem CID126992012
Molecular FormulaC9H11FN2S
Molecular Weight198.27 g/mol
Exact Mass198.06
IUPAC Name2-cyclopropyl-5-fluoro-4-methyl-6-methylsulfanylpyrimidine
SMILESCSc1nc(C2CC2)nc(C)c1F
InChIInChI=1S/C9H11FN2S/c1-5-7(10)9(13-2)12-8(11-5)6-3-4-6/h6H,3-4H2,1-2H3
InChIKeyHZECVISHZPCLGU-UHFFFAOYSA-N
XLogP2.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-fluoro-4-methyl-6-methylsulfanylpyrimidine?
The IUPAC name of 2-cyclopropyl-5-fluoro-4-methyl-6-methylsulfanylpyrimidine (CID 126992012) is 2-cyclopropyl-5-fluoro-4-methyl-6-methylsulfanylpyrimidine.
What is the SMILES notation for 2-cyclopropyl-5-fluoro-4-methyl-6-methylsulfanylpyrimidine?
The canonical SMILES for 2-cyclopropyl-5-fluoro-4-methyl-6-methylsulfanylpyrimidine is CSc1nc(C2CC2)nc(C)c1F.
What is the InChIKey of 2-cyclopropyl-5-fluoro-4-methyl-6-methylsulfanylpyrimidine?
The InChIKey is HZECVISHZPCLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2S/c1-5-7(10)9(13-2)12-8(11-5)6-3-4-6/h6H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-fluoro-4-methyl-6-methylsulfanylpyrimidine?
2-cyclopropyl-5-fluoro-4-methyl-6-methylsulfanylpyrimidine has a molecular weight of 198.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-fluoro-4-methyl-6-methylsulfanylpyrimidine is sourced from PubChem (CID 126992012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).