Home Other Building Blocks 3-((Benzyloxy)methyl)-4,6-dimethoxy-1H-pyrazolo[3,4-d]pyrimidine

3-((Benzyloxy)methyl)-4,6-dimethoxy-1H-pyrazolo[3,4-d]pyrimidine

CAS No.:
2055071-87-7
Catalog Number:
AG01CCSD
Molecular Formula:
C15H16N4O3
Molecular Weight:
300.3125
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Product Description
Catalog Number:
AG01CCSD
Chemical Name:
3-((Benzyloxy)methyl)-4,6-dimethoxy-1H-pyrazolo[3,4-d]pyrimidine
CAS Number:
2055071-87-7
Molecular Formula:
C15H16N4O3
Molecular Weight:
300.3125
MDL Number:
MFCD31630934
IUPAC Name:
4,6-dimethoxy-3-(phenylmethoxymethyl)-2H-pyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C15H16N4O3/c1-20-14-12-11(9-22-8-10-6-4-3-5-7-10)18-19-13(12)16-15(17-14)21-2/h3-7H,8-9H2,1-2H3,(H,16,17,18,19)
InChI Key:
WNAOGEHBPHJJPX-UHFFFAOYSA-N
SMILES:
COc1nc(OC)nc2c1c(COCc1ccccc1)n[nH]2
Properties
Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.122g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
300.318g/mol
Monoisotopic Mass:
300.122g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties