6-fluoro-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine

C12H12FN3S — CID 14461153

IUPAC6-fluoro-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(F)cc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C12H12FN3S/c1-8-3-5-9(6-4-8)14-11-7-10(13)15-12(16-11)17-2/h3-7H,1-2H3,(H,14,15,16)
InChIKeyQKJQVDCIRUCNEA-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.39
Rot. Bonds3

About 6-fluoro-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine

6-fluoro-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 14461153) has the molecular formula C12H12FN3S and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-fluoro-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID14461153
Molecular FormulaC12H12FN3S
Molecular Weight249.31 g/mol
Exact Mass249.07
IUPAC Name6-fluoro-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(F)cc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C12H12FN3S/c1-8-3-5-9(6-4-8)14-11-7-10(13)15-12(16-11)17-2/h3-7H,1-2H3,(H,14,15,16)
InChIKeyQKJQVDCIRUCNEA-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine (CID 14461153) is 6-fluoro-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine is CSc1nc(F)cc(Nc2ccc(C)cc2)n1.
What is the InChIKey of 6-fluoro-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is QKJQVDCIRUCNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3S/c1-8-3-5-9(6-4-8)14-11-7-10(13)15-12(16-11)17-2/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 6-fluoro-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine?
6-fluoro-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 249.31 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 14461153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).