Home Other Building Blocks 4-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine

4-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine

CAS No.:
1309430-81-6
Catalog Number:
AG01EK3W
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
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Product Description
Catalog Number:
AG01EK3W
Chemical Name:
4-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
CAS Number:
1309430-81-6
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
IUPAC Name:
4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C9H11N3/c1-6(2)8-7-3-4-10-9(7)12-5-11-8/h3-6H,1-2H3,(H,10,11,12)
InChI Key:
PRRZCLRTCFWQFI-UHFFFAOYSA-N
SMILES:
CC(c1ncnc2c1cc[nH]2)C
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.208g/mol
Monoisotopic Mass:
161.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties