5,6-Diamino-1-methyluracil

C₅H₈N₄O₂CAS 6972-82-3156.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₈N₄O₂
Molar mass: 156.14 g/mol
Exact mass: 156.0647 Da
logP: -1.76Crippen estimate
Polar surface area: 106.9 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

6972-82-3

SMILES

CN1C(=C(C(=O)NC1=O)N)N

InChIKey

PSIJQVXIJHUQPJ-UHFFFAOYSA-N

InChI

InChI=1S/C5H8N4O2/c1-9-3(7)2(6)4(10)8-5(9)11/h6-7H2,1H3,(H,8,10,11)

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Names and synonyms

1 names

3-Methyl-4,5-diaminouracil

Work with 5,6-Diamino-1-methyluracil

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-Diamino-1,3-dimethyluracil5440-00-643 % similar 6-Amino-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione21236-97-541 % similar 8-Bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione93703-24-339 % similar 3-Methyl-6-methylaminouracil5759-63-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-(2H-1,2,3,4-tetraazol-5-yl)acetate13616-37-0 2-Amino-4,6-dimethoxy-1,3,5-triazine16370-63-1

Elsewhere

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