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1256353-14-6 | 5H-Pyrrolo[3,4-d]pyrimidin-2-amine, 6,7-dihydro-6-(phenylmethyl)-
CAS No: 1256353-14-6 Catalog No: AG000O1U MDL No:
Product Description
Catalog Number:
AG000O1U
Chemical Name:
5H-Pyrrolo[3,4-d]pyrimidin-2-amine, 6,7-dihydro-6-(phenylmethyl)-
CAS Number:
1256353-14-6
Molecular Formula:
C13H14N4
Molecular Weight:
226.2771
IUPAC Name:
6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine
InChI:
InChI=1S/C13H14N4/c14-13-15-6-11-8-17(9-12(11)16-13)7-10-4-2-1-3-5-10/h1-6H,7-9H2,(H2,14,15,16)
InChI Key:
GEVBPDWWIHZQOO-UHFFFAOYSA-N
SMILES:
Nc1ncc2c(n1)CN(C2)Cc1ccccc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.283g/mol
Monoisotopic Mass:
226.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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