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1221153-78-1 | 2-Pyrimidinamine, 4-[1-(1-methylethyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-
CAS No: 1221153-78-1 Catalog No: AG0016SA MDL No:MFCD23703136
Product Description
Catalog Number:
AG0016SA
Chemical Name:
2-Pyrimidinamine, 4-[1-(1-methylethyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-
CAS Number:
1221153-78-1
Molecular Formula:
C14H15N5
Molecular Weight:
253.3024
MDL Number:
MFCD23703136
IUPAC Name:
4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
InChI:
InChI=1S/C14H15N5/c1-9(2)19-8-11(10-3-5-16-7-13(10)19)12-4-6-17-14(15)18-12/h3-9H,1-2H3,(H2,15,17,18)
InChI Key:
UCZZBTZALZVWDR-UHFFFAOYSA-N
SMILES:
Nc1nccc(n1)c1cn(c2c1ccnc2)C(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.133g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.309g/mol
Monoisotopic Mass:
253.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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