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

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

2-Aminopyrimidine-5-carbaldehyde120747-84-450 % similar 2-Amino-5-methylnicotinaldehyde1023814-35-844 % similar 4,6-Dichloropyridine-3-carbaldehyde1060811-62-239 % similar 5-Formyluracil1195-08-039 % similar 4-Chloro-2-(methylthio)pyrimidine-5-carboxaldehyde148256-82-035 % similar 4,5-Dichloropyrimidin-2-amine403854-21-734 % similar 2,5-Diaminopyrimidine22715-27-133 % similar 5-Bromo-4-chloropyrimidin-2-amine1044767-99-832 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Pyrazinoic acid hydrazide768-05-8

Elsewhere

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