2,4-Diaminopyrimidine-5-carbaldehyde

C₅H₆N₄OCAS 20781-06-0138.13 g/mol

Open in Covalent MOL file

Aldehyde Primary amine

Properties

Molecular formula: C₅H₆N₄O
Molar mass: 138.13 g/mol
Exact mass: 138.0542 Da
logP: -0.55Crippen estimate
Polar surface area: 94.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

20781-06-0

SMILES

C1=C(C(=NC(=N1)N)N)C=O

InChIKey

GPWNWKWQOLEVEQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H6N4O/c6-4-3(2-10)1-8-5(7)9-4/h1-2H,(H4,6,7,8,9)

Weigh it out

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

Names and synonyms

1 names

2,4-Diamino-pyrimidine-5-carbaldehyde

Work with 2,4-Diaminopyrimidine-5-carbaldehyde

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

4-Amino-2-methylpyrimidine-5-carbaldehyde73-68-763 % similar 4-Amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde770-31-057 % similar 2-Aminopyrimidine-5-carbaldehyde120747-84-450 % similar 2-Amino-5-methylnicotinaldehyde1023814-35-844 % similar 2-Amino-3-pyridinecarboxaldehyde7521-41-744 % similar 2,4-Dichloropyrimidine-5-carbaldehyde871254-61-440 % similar 4,6-Dichloropyridine-3-carbaldehyde1060811-62-239 % similar 5-Formyluracil1195-08-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pyrazine-2-carboxylic acid hydrazide768-05-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook