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102396-29-2 | 4-Pyrimidinamine, 6-chloro-5-methyl-N-(1-methylethyl)-2-(1-piperazinyl)-
CAS No: 102396-29-2 Catalog No: AG0007CB MDL No:
Product Description
Catalog Number:
AG0007CB
Chemical Name:
4-Pyrimidinamine, 6-chloro-5-methyl-N-(1-methylethyl)-2-(1-piperazinyl)-
CAS Number:
102396-29-2
Molecular Formula:
C12H20ClN5
Molecular Weight:
269.7737
IUPAC Name:
6-chloro-5-methyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine
InChI:
InChI=1S/C12H20ClN5/c1-8(2)15-11-9(3)10(13)16-12(17-11)18-6-4-14-5-7-18/h8,14H,4-7H2,1-3H3,(H,15,16,17)
InChI Key:
JACOPLXAPPBQSL-UHFFFAOYSA-N
SMILES:
CC(Nc1nc(nc(c1C)Cl)N1CCNCC1)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.141g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.777g/mol
Monoisotopic Mass:
269.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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