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123823-12-1 | 4(1H)-Pyrimidinone, 2,2'-iminobis[6-methyl- (9CI)
CAS No: 123823-12-1 Catalog No: AG000L56 MDL No:
Product Description
Catalog Number:
AG000L56
Chemical Name:
4(1H)-Pyrimidinone, 2,2'-iminobis[6-methyl- (9CI)
CAS Number:
123823-12-1
Molecular Formula:
C10H11N5O2
Molecular Weight:
233.2266
IUPAC Name:
4-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-1H-pyrimidin-6-one
InChI:
InChI=1S/C10H11N5O2/c1-5-3-7(16)13-9(11-5)15-10-12-6(2)4-8(17)14-10/h3-4H,1-2H3,(H3,11,12,13,14,15,16,17)
InChI Key:
KRAAFSLMCWXEOG-UHFFFAOYSA-N
SMILES:
Cc1[nH]c(Nc2[nH]c(C)cc(=O)n2)nc(=O)c1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
233.231g/mol
Monoisotopic Mass:
233.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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