2,4-Diaminopirimidin

2,4-Diaminopirimidin
Identifikacija
CAS registarski broj 156-81-0 DaY
PubChem[1][2] 67431
ChemSpider[3] 60756 DaY
Jmol-3D slike Slika 1
SMILES

N=C1NC=CC(=N)N1

InChI

InChI=1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h1-2H,(H4,5,6,7,8) DaY
Kod: YAAWASYJIRZXSZ-UHFFFAOYSA-N DaY


InChI=1/C4H6N4/c5-3-1-2-7-4(6)8-3/h1-2H,(H4,5,6,7,8)

Svojstva
Molekulska formula C4H6N4
Molarna masa 110.12 g mol−1



Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala

Infobox references

2,4-Diaminopirimidin je organsko jedinjenje, koje sadrži 4 atoma ugljenika i ima molekulsku masu od 110,117 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 2
Broj donora vodonika 4
Broj rotacionih veza 0
Particioni koeficijent[4] (ALogP) -0,9
Rastvorljivost[5] (logS, log(mol/L)) 1,4
Polarna površina[6] (PSA, Å2) 71,8

Reference

  1. Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519.  edit
  2. Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1. 
  3. Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846.  edit
  4. Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A 102: 3762-3772. DOI:10.1021/jp980230o. 
  5. Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488-1493. DOI:10.1021/ci000392t. PMID 11749573. 
  6. Ertl P., Rohde B., Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714-3717. DOI:10.1021/jm000942e. PMID 11020286. 

Literatura

  • Clayden Jonathan, Nick Greeves, Stuart Warren, Peter Wothers (2001). Organic chemistry. Oxford, Oxfordshire: Oxford University Press. ISBN 0-19-850346-6. 
  • Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th izd.). New York: Wiley-Interscience. ISBN 0-471-72091-7. 
  • Katritzky A.R., Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry. Academic Press. ISBN 0080429882. 

Spoljašnje veze

Portal Hemija
2,4-Diaminopirimidin na Wikimedijinoj ostavi
  • 2,4-Diaminopyrimidine
  • p
  • r
  • u
Antifolati
(inhibira
purinski metabolizam,
i tim putem inhibira
DNK i RNK sintezu)
2,4-Diaminopirimidin (Trimetoprim#, Brodimoprim, Tetroksoprim, Iklaprim)
Sulfonamidi
(DS inhibitor)
Kratkotrajni
Srednje trajni
Dugotrajni
Drugi/negrupisani
Kombinacije
Inhibitori
topoizomeraze/
hinoloni/
(inhibiraju
DNK replikaciju)
Srodni agenti (DG)
Anaerobni DNK
inhibitori
Nitro- imidazol derivati
Nitrofuran derivati
RNK sinteza

M: BAC

bact (clas)

gr+f/gr+a (t)/gr-p (c)/gr-o

drug (J1p, w, n, m, vacc)