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16412-36-5 | 2-Butanol, 2-methyl-4-(9H-purin-6-ylamino)-
CAS No: 16412-36-5 Catalog No: AG001UOL MDL No:
Product Description
Catalog Number:
AG001UOL
Chemical Name:
2-Butanol, 2-methyl-4-(9H-purin-6-ylamino)-
CAS Number:
16412-36-5
Molecular Formula:
C10H15N5O
Molecular Weight:
221.2590
IUPAC Name:
2-methyl-4-(7H-purin-6-ylamino)butan-2-ol
InChI:
InChI=1S/C10H15N5O/c1-10(2,16)3-4-11-8-7-9(13-5-12-7)15-6-14-8/h5-6,16H,3-4H2,1-2H3,(H2,11,12,13,14,15)
InChI Key:
BYBQVYKESCJUMW-UHFFFAOYSA-N
SMILES:
CC(CCNc1ncnc2c1nc[nH]2)(O)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.128g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
221.264g/mol
Monoisotopic Mass:
221.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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