Home Other Building Blocks 9-[(2,5-dimethylphenyl)methyl]-9H-purin-6-amine

9-[(2,5-dimethylphenyl)methyl]-9H-purin-6-amine

CAS No.:
1274765-20-6
Catalog Number:
AG01DV65
Molecular Formula:
C14H15N5
Molecular Weight:
253.3024
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Product Description
Catalog Number:
AG01DV65
Chemical Name:
9-[(2,5-dimethylphenyl)methyl]-9H-purin-6-amine
CAS Number:
1274765-20-6
Molecular Formula:
C14H15N5
Molecular Weight:
253.3024
MDL Number:
MFCD19164651
IUPAC Name:
9-[(2,5-dimethylphenyl)methyl]purin-6-amine
InChI:
InChI=1S/C14H15N5/c1-9-3-4-10(2)11(5-9)6-19-8-18-12-13(15)16-7-17-14(12)19/h3-5,7-8H,6H2,1-2H3,(H2,15,16,17)
InChI Key:
DBMOUMUFUNSNNM-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Cn1cnc2c1ncnc2N)C
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.133g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.309g/mol
Monoisotopic Mass:
253.133g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties