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

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

CAS No.:
2060058-22-0
Catalog Number:
AG01BYMD
Molecular Formula:
C9H11N3O
Molecular Weight:
177.2031
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Product Description
Catalog Number:
AG01BYMD
Chemical Name:
2-(propan-2-yl)-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CAS Number:
2060058-22-0
Molecular Formula:
C9H11N3O
Molecular Weight:
177.2031
MDL Number:
MFCD30497734
IUPAC Name:
2-propan-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C9H11N3O/c1-5(2)7-11-8-6(3-4-10-8)9(13)12-7/h3-5H,1-2H3,(H2,10,11,12,13)
InChI Key:
HBSZMCLICNLEIP-UHFFFAOYSA-N
SMILES:
CC(c1[nH]c(=O)c2c(n1)[nH]cc2)C
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
177.207g/mol
Monoisotopic Mass:
177.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties