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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Related Compounds

N-(4-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine
CID 14935475
4-N-(3,4-dimethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 53214462
N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 80546836
6-chloro-N-(3,4-dichlorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544635
N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 80544730
N-(2-fluoro-5-methylphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80920038
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
2-N,2-N-dimethyl-4-N,6-N-bis(4-methylphenyl)pyrimidine-2,4,6-triamine
CID 22398439
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine
CID 80913186
5-bromo-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine;hydrochloride
CID 54603924
N-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine
CID 86199310

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).