chempirical

6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione

C5H6N4O3CAS 6972-78-7170.13 g/mol

Open in Covalent MOL file
NH2NNOOHNO
PhenolPrimary amine

Properties

Molecular formula
C5H6N4O3
Molar mass
170.13 g/mol
Exact mass
170.0440 Da
logP
-0.53Crippen estimate
Polar surface area
110.6 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
1

Identifiers

CAS number
6972-78-7
SMILES
Cn1c(N)c(N=O)c(O)nc1=O
InChIKey
AHOWVSJPUQTRNN-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N4O3/c1-9-3(6)2(8-12)4(10)7-5(9)11/h6H2,1H3,(H,7,10,11)

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Names and synonyms

6 names
  • 2,4(1H,3H)-Pyrimidinedione, 6-amino-1-methyl-5-nitroso-
  • Uracil, 6-amino-1-methyl-5-nitroso-
  • 3-Methyl-4-amino-5-nitrosouracil
  • 6-Amino-1-methyl-5-nitrosouracil
  • NSC 62582
  • 6-Amino-1-methyl-5-nitrosopyrimidine-2,4-dione

Work with 6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Amino-1-methyluracil2434-53-943 % similar Theobromine83-67-042 % similar 6-Amino-5-nitroso-2,4(1H,3H)-pyrimidinedione5442-24-041 % similar 3-Methylxanthine1076-22-839 % similar 2,6-Diamino-5-nitroso-4(3H)-pyrimidinone2387-48-638 % similar 3,7-Dihydro-3-methyl-7-propyl-1H-purine-2,6-dione55242-64-335 % similar 1-Methyluracil615-77-033 % similar 8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione666816-98-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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