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

C₅H₆N₄O₃CAS 6972-78-7170.13 g/mol

Open in Covalent MOL file

Phenol Primary 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 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

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

PubChem CAS Common Chemistry NIST WebBook