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131598-63-5 | 2,4(1H,3H)-Pyrimidinedione, 6-amino-5-(butylamino)-1-methyl-
CAS No: 131598-63-5 Catalog No: AG000ZGE MDL No:
Product Description
Catalog Number:
AG000ZGE
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-amino-5-(butylamino)-1-methyl-
CAS Number:
131598-63-5
Molecular Formula:
C9H16N4O2
Molecular Weight:
212.2489
IUPAC Name:
6-amino-5-(butylamino)-1-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C9H16N4O2/c1-3-4-5-11-6-7(10)13(2)9(15)12-8(6)14/h11H,3-5,10H2,1-2H3,(H,12,14,15)
InChI Key:
ZALYXLITGCUJNX-UHFFFAOYSA-N
SMILES:
Cn1c(N)c(NCCCC)c(=O)[nH]c1=O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
212.253g/mol
Monoisotopic Mass:
212.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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