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866331-10-4 | Propanamide, N-(4-chloro-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-methyl-
CAS No: 866331-10-4 Catalog No: AG004TYC MDL No:
Product Description
Catalog Number:
AG004TYC
Chemical Name:
Propanamide, N-(4-chloro-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-methyl-
CAS Number:
866331-10-4
Molecular Formula:
C10H11ClN4O
Molecular Weight:
238.6735
IUPAC Name:
N-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-methylpropanamide
InChI:
InChI=1S/C10H11ClN4O/c1-5(2)9(16)15-10-13-7(11)6-3-4-12-8(6)14-10/h3-5H,1-2H3,(H2,12,13,14,15,16)
InChI Key:
RKXWDUWQDZVZRE-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)Nc1nc(Cl)c2c([nH]1)ncc2
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.675g/mol
Monoisotopic Mass:
238.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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