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831231-66-4 | 2,4(1H,3H)-Pyrimidinedione, 5-amino-3-methyl-6-(4-pyridinyl)-
CAS No: 831231-66-4 Catalog No: AG005120 MDL No:
Product Description
Catalog Number:
AG005120
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-amino-3-methyl-6-(4-pyridinyl)-
CAS Number:
831231-66-4
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
IUPAC Name:
5-amino-3-methyl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C10H10N4O2/c1-14-9(15)7(11)8(13-10(14)16)6-2-4-12-5-3-6/h2-5H,11H2,1H3,(H,13,16)
InChI Key:
MKOVKHFGIPAELM-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(c2ccncc2)c(c(=O)n1C)N
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.216g/mol
Monoisotopic Mass:
218.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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