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1380343-11-2 | 7H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-7-(1-methylethyl)-N-propyl-
CAS No: 1380343-11-2 Catalog No: AG0017VM MDL No:
Product Description
Catalog Number:
AG0017VM
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-7-(1-methylethyl)-N-propyl-
CAS Number:
1380343-11-2
Molecular Formula:
C12H17ClN4
Molecular Weight:
252.7432
IUPAC Name:
4-chloro-7-propan-2-yl-N-propylpyrrolo[2,3-d]pyrimidin-2-amine
InChI:
InChI=1S/C12H17ClN4/c1-4-6-14-12-15-10(13)9-5-7-17(8(2)3)11(9)16-12/h5,7-8H,4,6H2,1-3H3,(H,14,15,16)
InChI Key:
YYKQVYQJKNFFHN-UHFFFAOYSA-N
SMILES:
CCCNc1nc(Cl)c2c(n1)n(cc2)C(C)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.114g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.746g/mol
Monoisotopic Mass:
252.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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