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1097036-91-3

1097036-91-3 | 5,6-dimethyl-7-[2-(pyridin-2-yl)ethyl]-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-imine

CAS No: 1097036-91-3 Catalog No: AG01AH7E MDL No:MFCD12653373

Product Description

Catalog Number:
AG01AH7E
Chemical Name:
5,6-dimethyl-7-[2-(pyridin-2-yl)ethyl]-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-imine
CAS Number:
1097036-91-3
Molecular Formula:
C15H17N5
Molecular Weight:
267.3290
MDL Number:
MFCD12653373
IUPAC Name:
5,6-dimethyl-7-(2-pyridin-2-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine
InChI:
InChI=1S/C15H17N5/c1-10-11(2)20(8-6-12-5-3-4-7-17-12)15-13(10)14(16)18-9-19-15/h3-5,7,9H,6,8H2,1-2H3,(H2,16,18,19)
InChI Key:
KSDZVIGSBJBDKE-UHFFFAOYSA-N
SMILES:
N=c1nc[nH]c2c1c(C)c(n2CCc1ccccn1)C

Properties

Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.148g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.336g/mol
Monoisotopic Mass:
267.148g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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