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19916-72-4 | 2,4,5-Pyrimidinetriamine, 6-(phenylmethoxy)-
CAS No: 19916-72-4 Catalog No: AG002BXI MDL No:
Product Description
Catalog Number:
AG002BXI
Chemical Name:
2,4,5-Pyrimidinetriamine, 6-(phenylmethoxy)-
CAS Number:
19916-72-4
Molecular Formula:
C11H13N5O
Molecular Weight:
231.2538
IUPAC Name:
6-phenylmethoxypyrimidine-2,4,5-triamine
InChI:
InChI=1S/C11H13N5O/c12-8-9(13)15-11(14)16-10(8)17-6-7-4-2-1-3-5-7/h1-5H,6,12H2,(H4,13,14,15,16)
InChI Key:
QGOLEGLENLEGAL-UHFFFAOYSA-N
SMILES:
Nc1nc(OCc2ccccc2)c(c(n1)N)N
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.112g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
231.259g/mol
Monoisotopic Mass:
231.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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