6-Methyl-5-nitro-2,4(1H,3H)-pyrimidinedione

C₅H₅N₃O₄CAS 16632-21-6171.11 g/mol

Open in Covalent MOL file

Nitro Phenol

Properties

Molecular formula: C₅H₅N₃O₄
Molar mass: 171.11 g/mol
Exact mass: 171.0280 Da
Melting point: 290 °C (decomposes)
logP: 0.10Crippen estimate
Polar surface area: 109.4 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

16632-21-6

SMILES

Cc1nc(O)nc(O)c1[N+](=O)[O-]

InChIKey

LIVYMRJSNFHYEN-UHFFFAOYSA-N

InChI

InChI=1S/C5H5N3O4/c1-2-3(8(11)12)4(9)7-5(10)6-2/h1H3,(H2,6,7,9,10)

Weigh it out

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

Names and synonyms

7 names

2,4(1H,3H)-Pyrimidinedione, 6-methyl-5-nitro-
Uracil, 6-methyl-5-nitro-
5-Nitro-6-methyluracil
6-Methyl-5-nitrouracil
2,4-Dihydroxy-6-methyl-5-nitropyrimidine
NSC 40201
2,4-Dihydroxy-5-nitro-6-methylpyrimidine

Work with 6-Methyl-5-nitro-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

5,6-Dimethyluracil26305-13-547 % similar 5-Nitro-2,4(1H,3H)-pyrimidinedione611-08-546 % similar 2,4-Dichloro-6-methyl-5-nitropyrimidine13162-26-045 % similar 6-Hydroxy-5-nitro-4(3H)-pyrimidinone2164-83-244 % similar 4-Chloro-2,6-dimethyl-3-nitropyridine15513-48-143 % similar 2-Amino-4,6-dihydroxy-5-nitropyrimidine80466-56-442 % similar 3,5-Dimethyl-4-nitroisoxazole1123-49-541 % similar 3,5-Dimethyl-4-nitropyrazole14531-55-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 4-nitro-1H-pyrazole-5-carboxylate138786-86-4 5-Amino-1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid7164-43-4

Elsewhere

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