2-Aminopyrimidine-5-carbaldehyde

C₅H₅N₃OCAS 120747-84-4123.11 g/mol

Open in Covalent MOL file

Aldehyde Primary amine

Properties

Molecular formula: C₅H₅N₃O
Molar mass: 123.11 g/mol
Exact mass: 123.0433 Da
logP: -0.13Crippen estimate
Polar surface area: 68.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed98% of notifiers
H317 May cause an allergic skin reaction78.4% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number

120747-84-4

SMILES

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

InChIKey

DPOYRRAYGKTRAU-UHFFFAOYSA-N

InChI

InChI=1S/C5H5N3O/c6-5-7-1-4(3-9)2-8-5/h1-3H,(H2,6,7,8)

Weigh it out

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

Names and synonyms

1 names

2-Amino-5-pyrimidinecarboxyaldehyde

Work with 2-Aminopyrimidine-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-Chloropyrimidine-5-carbaldehyde933702-55-756 % similar 6-Aminonicotinaldehyde69879-22-754 % similar 2,4-Diaminopyrimidine-5-carbaldehyde20781-06-050 % similar 2-Methoxy-pyrimidine-5-carbaldehyde90905-32-150 % similar 2-(Methylthio)-5-pyrimidinecarbaldehyde90905-31-048 % similar 2,2'-Bipyridyl-5,5'-dialdehyde135822-72-948 % similar Pyrimidine-5-carboxaldehyde10070-92-548 % similar 2,5-Diaminopyrimidine22715-27-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pyrazinamide98-96-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook