Chemical Properties of Pyrimethamine (CAS 58-14-0)

Pyrimethamine

InChI
InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
InChI Key
WKSAUQYGYAYLPV-UHFFFAOYSA-N
Formula
C12H13ClN4
SMILES
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Molecular Weight1
248.71
CAS
58-14-0
Other Names
  • 2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine
  • 2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine
  • 2,4-Diamino-5-chlorophenyl-6-ethylpyrimidine
  • 2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-
  • 2,4-Pyrimidinediamine, 5-(p-chlorophenyl)-6-ethyl-
  • 4753 R.P.
  • 5-(4'-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine
  • 5-(4-Chlorophenyl)-6-ethyl-2,4-pyrimidinediamine
  • BW 50-63
  • Chloridin
  • Chloridine
  • Chloridyn
  • Darachlor
  • Darapram
  • Daraprim
  • Daraprime
  • Diaminopyritamin
  • Erbaprelina
  • Khloridin
  • Malacid
  • Malocid
  • Malocide
  • Maloprim
  • NCI-C01683
  • NSC-3061
  • Pirimecidan
  • Pirimetamin
  • Pirimetamina
  • Primethamine
  • Pyrimethamin
  • Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-ethyl-
  • RP 4753
  • Tindurin
  • Tinduring
  • WR 2978
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Physical Properties

Property Value Unit Source
ω 0.7024 Relay (1.0) Calculated Property
ΔfG° 397.55 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 105.58 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 113.51 kJ/mol Relay (1.0) Calculated Property
IE 7.97 eV Relay (1.0) Calculated Property
log10WS -4.11 Aq. Solubility Prediction
logPoct/wat 2.524 Crippen Calculated Property
McVol 184.580 ml/mol McGowan Calculated Property
Pc 2764.93 kPa Relay (1.0-beta) Calculated Property
Inp [2138.00; 2140.00]   Show Hide
Inp 2140.00 NIST
Inp 2138.00 NIST
Inp 2140.00 NIST
Tboil 636.86 K Relay (1.0) Calculated Property
Tc 946.62 K Relay (1.0) Calculated Property
Tfus 506.48 K Aq. Solubility Prediction
Vc 0.647 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

5-(4-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine, N,N'-bis(trifluoroacetyl)-. 5-(4-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine, N,N'-bis(pentafluoropropionyl)-. 5-(4-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine, N,N'-bis(heptafluorobutyryl)-. Deuteroporphyrin-IX dimethyl ester, bis(trimethylsiloxy)silicon(IV) derivative. 9,10-Dihydrophenanthrene-cis-9,10-diol, ferrocenylboronate. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. risperidone. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Baptifoline. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. Epibaptifoline. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Argentamin. mexazolam. 2-Amino-1-propanol, ferrocenylboronate.

Find more compounds similar to Pyrimethamine.

Sources

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