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77961-64-9 | 4(1H)-Pyrimidinone, 5-amino-2-[(2-methyl-5-pyrimidinyl)amino]-
CAS No: 77961-64-9 Catalog No: AG0055JM MDL No:
Product Description
Catalog Number:
AG0055JM
Chemical Name:
4(1H)-Pyrimidinone, 5-amino-2-[(2-methyl-5-pyrimidinyl)amino]-
CAS Number:
77961-64-9
Molecular Formula:
C9H10N6O
Molecular Weight:
218.2153
IUPAC Name:
5-amino-2-[(2-methylpyrimidin-5-yl)amino]-1H-pyrimidin-6-one
InChI:
InChI=1S/C9H10N6O/c1-5-11-2-6(3-12-5)14-9-13-4-7(10)8(16)15-9/h2-4H,10H2,1H3,(H2,13,14,15,16)
InChI Key:
HPXXWEPFIULQQD-UHFFFAOYSA-N
SMILES:
Cc1ncc(cn1)Nc1[nH]cc(c(=O)n1)N
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
218.22g/mol
Monoisotopic Mass:
218.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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