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157013-85-9 | 7H-Pyrrolo[2,3-d]pyrimidine, 6,7-dimethyl-2,4-di-1-pyrrolidinyl-, hydrochloride (1:1)
CAS No: 157013-85-9 Catalog No: AG001P5E MDL No:
Product Description
Catalog Number:
AG001P5E
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 6,7-dimethyl-2,4-di-1-pyrrolidinyl-, hydrochloride (1:1)
CAS Number:
157013-85-9
Molecular Formula:
C16H24ClN5
Molecular Weight:
321.8483
IUPAC Name:
6,7-dimethyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine;hydrochloride
InChI:
InChI=1S/C16H23N5.ClH/c1-12-11-13-14(19(12)2)17-16(21-9-5-6-10-21)18-15(13)20-7-3-4-8-20;/h11H,3-10H2,1-2H3;1H
InChI Key:
MNKBXPNQWKUSKU-UHFFFAOYSA-N
SMILES:
Cc1cc2c(n1C)nc(nc2N1CCCC1)N1CCCC1.Cl
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.172g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.853g/mol
Monoisotopic Mass:
321.172g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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