Chemical Properties of 2,4,6-pyrimidinetriamine

2,4,6-pyrimidinetriamine

InChI
InChI=1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)
InChI Key
JTTIOYHBNXDJOD-UHFFFAOYSA-N
Formula
C4H7N5
SMILES
Nc1cc(N)nc(N)n1
Molecular Weight1
125.13
Other Names
  • pyrimidine-2,4,6-triamine
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Physical Properties

Property Value Unit Source
log10WS -2.64 Relay (1.0) Calculated Property
logPoct/wat -0.777 Crippen Calculated Property
McVol 93.360 ml/mol McGowan Calculated Property
Tboil 564.13 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 125.40 kJ/mol 298.15 Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines

Similar Compounds

4-Chloro-2,6-diaminopyrimidine. 4(1H)-Pyrimidinone, 2,6-diamino-. 4,6-Pyrimidinediamine, 2-(methylthio)-. 2(1H)-Pyrimidinethione, 4,6-diamino-. 2,4-Diamino-6-ethoxypyrimidine. 2-Pyrimidinesulfonic acid, 4,6-diaminothio-, s-trichloromethyl ester. Pyrimidine, 4-amino-. Pyrimidine, 2-amino-4-chloro-6-(ethylamino)-. 4-Pyrimidinamine, 6-chloro-2-(methylthio)-. 2,4-Pyrimidinediamine, 6-chloro-5-nitro-. Cytosine, trimethylsilyl ether. 2,6-dimethyl-4-pyrimidinamine. 2(1H)-Pyrimidinone, 4-amino-. [1,2,5]Oxadiazolo[3,4-d]pyrimidine, 5,7-diamino-, 1-oxide. 4,5-Pyrimidinediamine.

Find more compounds similar to 2,4,6-pyrimidinetriamine.

Sources

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