3-ethylsulfanyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

C10H10F3N3S — CID 146780853

IUPAC3-ethylsulfanyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCCSc1c(C)nc2nc(C(F)(F)F)ccn12
InChIInChI=1S/C10H10F3N3S/c1-3-17-8-6(2)14-9-15-7(10(11,12)13)4-5-16(8)9/h4-5H,3H2,1-2H3
InChIKeyRTQHZYHVJZPWRQ-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.17
Rot. Bonds2

About 3-ethylsulfanyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

3-ethylsulfanyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 146780853) has the molecular formula C10H10F3N3S and a molecular weight of 261.27 g/mol. Its IUPAC name is 3-ethylsulfanyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-ethylsulfanyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
PubChem CID146780853
Molecular FormulaC10H10F3N3S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Name3-ethylsulfanyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCCSc1c(C)nc2nc(C(F)(F)F)ccn12
InChIInChI=1S/C10H10F3N3S/c1-3-17-8-6(2)14-9-15-7(10(11,12)13)4-5-16(8)9/h4-5H,3H2,1-2H3
InChIKeyRTQHZYHVJZPWRQ-UHFFFAOYSA-N
XLogP3.17
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-ethylsulfanyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 146780853) is 3-ethylsulfanyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-ethylsulfanyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-ethylsulfanyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is CCSc1c(C)nc2nc(C(F)(F)F)ccn12.
What is the InChIKey of 3-ethylsulfanyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is RTQHZYHVJZPWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3S/c1-3-17-8-6(2)14-9-15-7(10(11,12)13)4-5-16(8)9/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
3-ethylsulfanyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 261.27 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 146780853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).