7-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine

C13H11F5N4S — CID 51347853

IUPAC7-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine
SMILESCc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2ccnc2n1
InChIInChI=1S/C13H11F5N4S/c1-9-8-12(22-7-6-19-13(22)20-9)21-10-2-4-11(5-3-10)23(14,15,16,17)18/h2-8,21H,1H3
InChIKeyWQQKDMYAYLYJLV-UHFFFAOYSA-N
MW350.32 g/mol
LogP5.44
Rot. Bonds3

About 7-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine

7-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine (PubChem CID 51347853) has the molecular formula C13H11F5N4S and a molecular weight of 350.32 g/mol. Its IUPAC name is 7-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine.

Molecular Properties

Compound Name7-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine
PubChem CID51347853
Molecular FormulaC13H11F5N4S
Molecular Weight350.32 g/mol
Exact Mass350.06
IUPAC Name7-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine
SMILESCc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2ccnc2n1
InChIInChI=1S/C13H11F5N4S/c1-9-8-12(22-7-6-19-13(22)20-9)21-10-2-4-11(5-3-10)23(14,15,16,17)18/h2-8,21H,1H3
InChIKeyWQQKDMYAYLYJLV-UHFFFAOYSA-N
XLogP5.44
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.32
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine?
The IUPAC name of 7-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine (CID 51347853) is 7-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine.
What is the SMILES notation for 7-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine?
The canonical SMILES for 7-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine is Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2ccnc2n1.
What is the InChIKey of 7-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine?
The InChIKey is WQQKDMYAYLYJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F5N4S/c1-9-8-12(22-7-6-19-13(22)20-9)21-10-2-4-11(5-3-10)23(14,15,16,17)18/h2-8,21H,1H3.
What are the key properties of 7-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine?
7-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine has a molecular weight of 350.32 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine is sourced from PubChem (CID 51347853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).