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1221153-82-7 | 2-Pyrimidinamine, 4-[5-chloro-1-(1-methylethyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-
CAS No: 1221153-82-7 Catalog No: AG0016S6 MDL No:MFCD18910950
Product Description
Catalog Number:
AG0016S6
Chemical Name:
2-Pyrimidinamine, 4-[5-chloro-1-(1-methylethyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-
CAS Number:
1221153-82-7
Molecular Formula:
C14H14ClN5
Molecular Weight:
287.7475
MDL Number:
MFCD18910950
IUPAC Name:
4-(5-chloro-1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
InChI:
InChI=1S/C14H14ClN5/c1-8(2)20-7-10(11-3-4-17-14(16)19-11)9-5-13(15)18-6-12(9)20/h3-8H,1-2H3,(H2,16,17,19)
InChI Key:
MJOZFDWJFXORTO-UHFFFAOYSA-N
SMILES:
Nc1nccc(n1)c1cn(c2c1cc(Cl)nc2)C(C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.751g/mol
Monoisotopic Mass:
287.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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