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1688-92-2 | 4(3H)-Pyrimidinone, 2,6-diamino-5-(methylamino)-
CAS No: 1688-92-2 Catalog No: AG001YB4 MDL No:
Product Description
Catalog Number:
AG001YB4
Chemical Name:
4(3H)-Pyrimidinone, 2,6-diamino-5-(methylamino)-
CAS Number:
1688-92-2
Molecular Formula:
C5H9N5O
Molecular Weight:
155.1579
IUPAC Name:
2,4-diamino-5-(methylamino)-1H-pyrimidin-6-one
InChI:
InChI=1S/C5H9N5O/c1-8-2-3(6)9-5(7)10-4(2)11/h8H,1H3,(H5,6,7,9,10,11)
InChI Key:
LFJQQDOISXTMNT-UHFFFAOYSA-N
SMILES:
CNc1c(N)nc([nH]c1=O)N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.081g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
155.161g/mol
Monoisotopic Mass:
155.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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