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259145-28-3 | 4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-amino-3,7-dihydro-5-phenyl-
CAS No: 259145-28-3 Catalog No: AG002R1C MDL No:
Product Description
Catalog Number:
AG002R1C
Chemical Name:
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-amino-3,7-dihydro-5-phenyl-
CAS Number:
259145-28-3
Molecular Formula:
C12H10N4O
Molecular Weight:
226.2340
IUPAC Name:
2-amino-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C12H10N4O/c13-12-15-10-9(11(17)16-12)8(6-14-10)7-4-2-1-3-5-7/h1-6H,(H4,13,14,15,16,17)
InChI Key:
RELXHHVNXBMEDS-UHFFFAOYSA-N
SMILES:
Nc1nc2[nH]cc(c2c(=O)[nH]1)c1ccccc1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
226.239g/mol
Monoisotopic Mass:
226.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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