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888313-62-0 | Pyrimidine,2-(1H-imidazol-1-yl)-4-methyl-6-(2-pyrrolidinyl)-
CAS No: 888313-62-0 Catalog No: AG008AT4 MDL No:
Product Description
Catalog Number:
AG008AT4
Chemical Name:
Pyrimidine,2-(1H-imidazol-1-yl)-4-methyl-6-(2-pyrrolidinyl)-
CAS Number:
888313-62-0
Molecular Formula:
C12H15N5
Molecular Weight:
229.2810
IUPAC Name:
2-imidazol-1-yl-4-methyl-6-pyrrolidin-2-ylpyrimidine
InChI:
InChI=1S/C12H15N5/c1-9-7-11(10-3-2-4-14-10)16-12(15-9)17-6-5-13-8-17/h5-8,10,14H,2-4H2,1H3
InChI Key:
HYCHFVUWHCJNFC-UHFFFAOYSA-N
SMILES:
Cc1cc(nc(n1)n1cncc1)C1CCCN1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.133g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.287g/mol
Monoisotopic Mass:
229.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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