Name: Name:methyl 2-(trifluoromethyl)-1H,2H,3H,4H-imidazo[1,5-a]pyrimidine-8-carboxylate
Brand: Angene
SKU: AG01EHVY
Rating: 90 (10 reviews)

methyl 2-(trifluoromethyl)-1H,2H,3H,4H-imidazo[1,5-a]pyrimidine-8-carboxylate

CAS No.:

2137845-58-8

Catalog Number:

AG01EHVY

Molecular Formula:

C9H10F3N3O2

Molecular Weight:

249.1898

Catalog Number:

AG01EHVY

Chemical Name:

methyl 2-(trifluoromethyl)-1H,2H,3H,4H-imidazo[1,5-a]pyrimidine-8-carboxylate

CAS Number:

2137845-58-8

Molecular Formula:

C9H10F3N3O2

Molecular Weight:

249.1898

MDL Number:

MFCD31434721

IUPAC Name:

methyl 2-(trifluoromethyl)-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine-8-carboxylate

InChI:

InChI=1S/C9H10F3N3O2/c1-17-8(16)6-7-14-5(9(10,11)12)2-3-15(7)4-13-6/h4-5,14H,2-3H2,1H3

InChI Key:

ZDORQPXJTCVTAP-UHFFFAOYSA-N

SMILES:

COC(=O)c1ncn2c1NC(CC2)C(F)(F)F

Complexity:

310

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.193g/mol

Monoisotopic Mass:

249.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8