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101714-02-7 | 4(3H)-Pteridinone, 2-amino-5,6-dihydro-6-hydroxy-
CAS No: 101714-02-7 Catalog No: AG0005A9 MDL No:
Product Description
Catalog Number:
AG0005A9
Chemical Name:
4(3H)-Pteridinone, 2-amino-5,6-dihydro-6-hydroxy-
CAS Number:
101714-02-7
Molecular Formula:
C6H7N5O2
Molecular Weight:
181.1521
IUPAC Name:
2-amino-6-hydroxy-5,6-dihydro-3H-pteridin-4-one
InChI:
InChI=1S/C6H7N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1-2,9,12H,(H3,7,10,11,13)
InChI Key:
GMDQUBDUVXXSCQ-UHFFFAOYSA-N
SMILES:
OC1C=Nc2c(N1)c(=O)[nH]c(n2)N
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
181.155g/mol
Monoisotopic Mass:
181.06g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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