2,4-Diaminopirimidin

2,4-Diaminopirimidin
Identifikacija
  • 156-81-0 ДаY
3D model (Jmol)
  • interaktivna slika
ChemSpider
  • 60756 ДаY
ECHA InfoCard 100.005.331
PubChem[1][2] C ID
  • 67431
SMILES
  • N=C1NC=CC(=N)N1
Svojstva
C4H6N4
Molarna masa 110,117
Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje materijala (na 25 °C [77 °F], 100 kPa).
Reference infokutije

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[3] (ALogP) -0,9
Rastvorljivost[4] (logS, log(mol/L)) 1,4
Polarna površina[5] (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. PMID 20970519. doi:10.1016/j.drudis.2010.10.003.  уреди
  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. ^ Ghose, A.K.; Viswanadhan V.N. & 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. 
  4. ^ 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. PMID 11749573. doi:10.1021/ci000392t. 
  5. ^ 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. PMID 11020286. doi:10.1021/jm000942e. 

Literatura

  • Clayden, Jonathan; Greeves, Nick; Warren, Stuart; Wothers, Peter (2001). Organic Chemistry (I изд.). Oxford University Press. ISBN 978-0-19-850346-0. 
  • Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th изд.). New York: Wiley-Interscience. ISBN 0-471-72091-7. 
  • Katritzky A.R.; Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry (Second изд.). Academic Press. ISBN 0080429882. 

Spoljašnje veze

  • Portal Hemija
2,4-Diaminopirimidin na Vikimedijinoj ostavi.
  • 2,4-Diaminopyrimidine
  • p
  • r
  • u
Antifolati
(inhibira
purinski metabolizam,
i tim putem inhibira
DNK i RNK sintezu)
DR inhibitor
Sulfonamidi
(DS inhibitor)
Kratkotrajni
Srednje trajni
Dugotrajni
Drugi/negrupisani
Kombinacije
Inhibitori
topoizomeraze/
hinoloni/
(inhibiraju
DNK replikaciju)
1. generacija
Fluorohinoloni
2. generacija
3. generacija
4. generacija
Veterinarski
Srodni agenti (DG)
Anaerobni DNK
inhibitori
Nitro- imidazol derivati
Nitrofuran derivati
RNK sinteza
Rifamicinii/
RNK polimeraza

M: INF

bact/virs/fung/para(a,e,c,h,r)

bact(+/-p/-o)/virs/fung/para(a,e,c,h,r), epon

bact(J1p,w,n,m)/virs(J5d,r,h)/fung/para(a,e,c,h,r),v,g