chempirical

4,5,6-Pyrimidinetriamine

C4H7N5CAS 118-70-7125.14 g/mol

Open in Covalent MOL file
HNHNNNH2H2N
Primary amine

Properties

Molecular formula
C4H7N5
Molar mass
125.14 g/mol
Exact mass
125.0701 Da
Melting point
257 °C (decomposes)
logP
-0.95Crippen estimate
Polar surface area
104.6 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
118-70-7
SMILES
N=c1[nH]cnc(N)c1N
InChIKey
MPNBXFXEMHPGTK-UHFFFAOYSA-N
InChI
InChI=1S/C4H7N5/c5-2-3(6)8-1-9-4(2)7/h1H,5H2,(H4,6,7,8,9)

Weigh it out

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

Names and synonyms

3 names
  • Pyrimidine, 4,5,6-triamino-
  • 4,5,6-Triaminopyrimidine
  • NSC 145059

Work with 4,5,6-Pyrimidinetriamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4,5,6-Triaminopyrimidine sulfate49721-45-1Salt

Similar compounds

6-Chloro-4,5-pyrimidinediamine4316-98-760 % similar 4,5-Diamino-6-hydroxypyrimidine1672-50-053 % similar 4,6-Diamino-5-nitropyrimidine2164-84-350 % similar 4,5-Diaminopyrimidine13754-19-341 % similar 7-Deazaadenine1500-85-239 % similar Adenine73-24-539 % similar Adenine hydrochloride2922-28-336 % similar 5-Bromo-4-chloro-2,3-pyridinediamine1131604-99-335 % similar

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

Same formula

2,4,6-Triaminopyrimidine1004-38-2 Acetoguanamine542-02-9

Elsewhere

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