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1439823-02-5 | 2-Pyrimidinamine, 5-bromo-N-3-oxetanyl-
CAS No: 1439823-02-5 Catalog No: AG001IP7 MDL No:MFCD22690829
Product Description
Catalog Number:
AG001IP7
Chemical Name:
2-Pyrimidinamine, 5-bromo-N-3-oxetanyl-
CAS Number:
1439823-02-5
Molecular Formula:
C7H8BrN3O
Molecular Weight:
230.0619
MDL Number:
MFCD22690829
IUPAC Name:
5-bromo-N-(oxetan-3-yl)pyrimidin-2-amine
InChI:
InChI=1S/C7H8BrN3O/c8-5-1-9-7(10-2-5)11-6-3-12-4-6/h1-2,6H,3-4H2,(H,9,10,11)
InChI Key:
KXQASTWVGVPICD-UHFFFAOYSA-N
SMILES:
Brc1cnc(nc1)NC1COC1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.985g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.065g/mol
Monoisotopic Mass:
228.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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