Home Other Building Blocks 2-(azetidin-3-yl)-5-cyclopropylpyrimidine, bis(trifluoroacetic acid)

2-(azetidin-3-yl)-5-cyclopropylpyrimidine, bis(trifluoroacetic acid)

CAS No.:
2060059-87-0
Catalog Number:
AG01BR4O
Molecular Formula:
C14H15F6N3O4
Molecular Weight:
403.2770
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Product Description
Catalog Number:
AG01BR4O
Chemical Name:
2-(azetidin-3-yl)-5-cyclopropylpyrimidine, bis(trifluoroacetic acid)
CAS Number:
2060059-87-0
Molecular Formula:
C14H15F6N3O4
Molecular Weight:
403.2770
MDL Number:
MFCD30502227
IUPAC Name:
2-(azetidin-3-yl)-5-cyclopropylpyrimidine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C10H13N3.2C2HF3O2/c1-2-7(1)8-5-12-10(13-6-8)9-3-11-4-9;2*3-2(4,5)1(6)7/h5-7,9,11H,1-4H2;2*(H,6,7)
InChI Key:
VYEUWTYYBRSWRF-UHFFFAOYSA-N
SMILES:
N1CC(C1)c1ncc(cn1)C1CC1.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.097g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
403.281g/mol
Monoisotopic Mass:
403.097g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties