Home Other Building Blocks 2-(azetidin-3-yl)-4,6-dimethylpyrimidine, bis(trifluoroacetic acid)

2-(azetidin-3-yl)-4,6-dimethylpyrimidine, bis(trifluoroacetic acid)

CAS No.:
2060062-87-3
Catalog Number:
AG01BR4N
Molecular Formula:
C13H15F6N3O4
Molecular Weight:
391.2663
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Product Description
Catalog Number:
AG01BR4N
Chemical Name:
2-(azetidin-3-yl)-4,6-dimethylpyrimidine, bis(trifluoroacetic acid)
CAS Number:
2060062-87-3
Molecular Formula:
C13H15F6N3O4
Molecular Weight:
391.2663
MDL Number:
MFCD30502226
IUPAC Name:
2-(azetidin-3-yl)-4,6-dimethylpyrimidine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C9H13N3.2C2HF3O2/c1-6-3-7(2)12-9(11-6)8-4-10-5-8;2*3-2(4,5)1(6)7/h3,8,10H,4-5H2,1-2H3;2*(H,6,7)
InChI Key:
YDMNVIZDYISACR-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(nc(c1)C)C1CNC1
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.097g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
391.27g/mol
Monoisotopic Mass:
391.097g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties