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1980-00-3 | 7(8H)-Pteridinone, 2-(methylamino)-
CAS No: 1980-00-3 Catalog No: AG002B8F MDL No:
Product Description
Catalog Number:
AG002B8F
Chemical Name:
7(8H)-Pteridinone, 2-(methylamino)-
CAS Number:
1980-00-3
Molecular Formula:
C7H7N5O
Molecular Weight:
177.1634
IUPAC Name:
2-(methylamino)-8H-pteridin-7-one
InChI:
InChI=1S/C7H7N5O/c1-8-7-10-2-4-6(12-7)11-5(13)3-9-4/h2-3H,1H3,(H2,8,10,11,12,13)
InChI Key:
NASUWEUERPRNKO-UHFFFAOYSA-N
SMILES:
CNc1ncc2c(n1)[nH]c(=O)cn2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.167g/mol
Monoisotopic Mass:
177.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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