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1151651-00-1 | 7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 5-(4-chlorophenyl)-7-(cyclopropylmethyl)-
CAS No: 1151651-00-1 Catalog No: AG000GCG MDL No:
Product Description
Catalog Number:
AG000GCG
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 5-(4-chlorophenyl)-7-(cyclopropylmethyl)-
CAS Number:
1151651-00-1
Molecular Formula:
C16H15ClN4
Molecular Weight:
298.7701
IUPAC Name:
5-(4-chlorophenyl)-7-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
InChI:
InChI=1S/C16H15ClN4/c17-12-5-3-11(4-6-12)13-8-21(7-10-1-2-10)16-14(13)15(18)19-9-20-16/h3-6,8-10H,1-2,7H2,(H2,18,19,20)
InChI Key:
LPCIFRZHGPBPDS-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cn(c2c1c(N)ncn2)CC1CC1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.099g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.774g/mol
Monoisotopic Mass:
298.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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