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

C₈H₁₂N₄O₃CAS 89073-60-9212.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₂N₄O₃
Molar mass: 212.21 g/mol
Exact mass: 212.0909 Da
logP: 0.03Crippen estimate
Polar surface area: 99.5 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H318 Causes serious eye damage100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, P501

Identifiers

CAS number

89073-60-9

SMILES

CCN1C(=C(C(=O)N(C1=O)CC)N=O)N

InChIKey

GAZDRRFBKXZFCM-UHFFFAOYSA-N

InChI

InChI=1S/C8H12N4O3/c1-3-11-6(9)5(10-15)7(13)12(4-2)8(11)14/h3-4,9H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

1,3-Diethyl-5-nitroso-6-aminouracil

Work with 6-Amino-1,3-diethyl-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

1,3-Diethyl-6-aminouracil41740-15-238 % similar 6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione6972-78-731 % similar 5,6-Diamino-1,3-dimethyluracil5440-00-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxamide139756-01-7 Histidylglycine2578-58-7 Caffeine monohydrate5743-12-4

Elsewhere

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