2-fluoro-5-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidine

C9H9FN4S — CID 164655223

IUPAC2-fluoro-5-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidine
SMILESCc1cnc(F)nc1Sc1cnn(C)c1
InChIInChI=1S/C9H9FN4S/c1-6-3-11-9(10)13-8(6)15-7-4-12-14(2)5-7/h3-5H,1-2H3
InChIKeyLZQPGMKKDRQMMR-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.81
Rot. Bonds2

About 2-fluoro-5-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidine

2-fluoro-5-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidine (PubChem CID 164655223) has the molecular formula C9H9FN4S and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-fluoro-5-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidine.

Molecular Properties

Compound Name2-fluoro-5-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidine
PubChem CID164655223
Molecular FormulaC9H9FN4S
Molecular Weight224.26 g/mol
Exact Mass224.05
IUPAC Name2-fluoro-5-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidine
SMILESCc1cnc(F)nc1Sc1cnn(C)c1
InChIInChI=1S/C9H9FN4S/c1-6-3-11-9(10)13-8(6)15-7-4-12-14(2)5-7/h3-5H,1-2H3
InChIKeyLZQPGMKKDRQMMR-UHFFFAOYSA-N
XLogP1.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidine?
The IUPAC name of 2-fluoro-5-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidine (CID 164655223) is 2-fluoro-5-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidine.
What is the SMILES notation for 2-fluoro-5-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidine?
The canonical SMILES for 2-fluoro-5-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidine is Cc1cnc(F)nc1Sc1cnn(C)c1.
What is the InChIKey of 2-fluoro-5-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidine?
The InChIKey is LZQPGMKKDRQMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4S/c1-6-3-11-9(10)13-8(6)15-7-4-12-14(2)5-7/h3-5H,1-2H3.
What are the key properties of 2-fluoro-5-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidine?
2-fluoro-5-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidine has a molecular weight of 224.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidine is sourced from PubChem (CID 164655223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).