4,5-Diaminopyrimidine

C₄H₆N₄CAS 13754-19-3110.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₆N₄
Molar mass: 110.12 g/mol
Exact mass: 110.0592 Da
Melting point: 205–206 °C
logP: -0.53Crippen estimate
Polar surface area: 78.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 0

Identifiers

CAS number

13754-19-3

SMILES

N=c1[nH]cncc1N

InChIKey

PPAULTVPKLVLII-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N4/c5-3-1-7-2-8-4(3)6/h1-2H,5H2,(H2,6,7,8)

Weigh it out

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

Names and synonyms

4 names

4,5-Pyrimidinediamine
Pyrimidine, 4,5-diamino-
5,6-Diaminopyrimidine
NSC 14348

Work with 4,5-Diaminopyrimidine

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-5-bromopyrimidine1439-10-752 % similar 2-Chloro-4,5-pyrimidinediamine14631-08-442 % similar 5-(4-Chlorophenyl)-4-pyrimidinamine35202-25-642 % similar 4,5,6-Pyrimidinetriamine118-70-741 % similar 6-Chloro-4,5-pyrimidinediamine4316-98-738 % similar 5-Chloro-1H-imidazole15965-31-834 % similar 4-Bromoimidazole2302-25-234 % similar 4-Methylimidazole822-36-634 % similar

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

Same formula

2,4-Diaminopyrimidine156-81-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia