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

C8H6F3N3 — CID 20791979

IUPAC3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCc1cnc2nc(C(F)(F)F)ccn12
InChIInChI=1S/C8H6F3N3/c1-5-4-12-7-13-6(8(9,10)11)2-3-14(5)7/h2-4H,1H3
InChIKeyPUXDRJNLBMFTBR-UHFFFAOYSA-N
MW201.15 g/mol
LogP2.06
Rot. Bonds

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

3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 20791979) has the molecular formula C8H6F3N3 and a molecular weight of 201.15 g/mol. Its IUPAC name is 3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
PubChem CID20791979
Molecular FormulaC8H6F3N3
Molecular Weight201.15 g/mol
Exact Mass201.05
IUPAC Name3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCc1cnc2nc(C(F)(F)F)ccn12
InChIInChI=1S/C8H6F3N3/c1-5-4-12-7-13-6(8(9,10)11)2-3-14(5)7/h2-4H,1H3
InChIKeyPUXDRJNLBMFTBR-UHFFFAOYSA-N
XLogP2.06
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 20791979) is 3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is Cc1cnc2nc(C(F)(F)F)ccn12.
What is the InChIKey of 3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is PUXDRJNLBMFTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3/c1-5-4-12-7-13-6(8(9,10)11)2-3-14(5)7/h2-4H,1H3.
What are the key properties of 3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 201.15 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 20791979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).