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1246535-95-4 | 2-Pyrimidinamine, 5-[9-(1-methylethyl)-2-(4-morpholinyl)-9H-purin-6-yl]-
CAS No: 1246535-95-4 Catalog No: AG000MID MDL No:
Product Description
Catalog Number:
AG000MID
Chemical Name:
2-Pyrimidinamine, 5-[9-(1-methylethyl)-2-(4-morpholinyl)-9H-purin-6-yl]-
CAS Number:
1246535-95-4
Molecular Formula:
C16H20N8O
Molecular Weight:
340.3830
IUPAC Name:
5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
InChI:
InChI=1S/C16H20N8O/c1-10(2)24-9-20-13-12(11-7-18-15(17)19-8-11)21-16(22-14(13)24)23-3-5-25-6-4-23/h7-10H,3-6H2,1-2H3,(H2,17,18,19)
InChI Key:
NGDDJJKHNGAOCH-UHFFFAOYSA-N
SMILES:
Nc1ncc(cn1)c1nc(nc2c1ncn2C(C)C)N1CCOCC1
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.176g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.391g/mol
Monoisotopic Mass:
340.176g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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