chempirical

Nolatrexed dihydrochloride

C14H14Cl2N4OSCAS 152946-68-4357.25 g/mol

Open in Covalent MOL file
NHNHNHOSNHClHCl
PhenolSulfide

Properties

Molecular formula
C14H14Cl2N4OS
Molar mass
357.25 g/mol
Exact mass
356.0265 Da
logP
3.45Crippen estimate
Polar surface area
85.7 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
2

Identifiers

CAS number
152946-68-4
SMILES
Cc1ccc2[nH]c(=N)nc(O)c2c1Sc1ccncc1.Cl.Cl
InChIKey
PJKVJJYMWOCLIJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N4OS.2ClH/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9;;/h2-7H,1H3,(H3,15,17,18,19);2*1H

Weigh it out

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

Names and synonyms

4 names
  • 4(1H)-Quinazolinone, 2-amino-6-methyl-5-(4-pyridinylthio)-, hydrochloride (1:2)
  • 4(1H)-Quinazolinone, 2-amino-6-methyl-5-(4-pyridinylthio)-, dihydrochloride
  • AG 337
  • Thymitaq

Work with Nolatrexed dihydrochloride

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

Similar compounds

Nolatrexed147149-76-693 % similar Guanine hydrochloride635-39-233 % similar 2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride56830-58-133 % similar 2-Amino-5,6-dimethyl-4(3H)-pyrimidinone3977-23-933 % similar Pterin2236-60-431 % similar 2-Amino-5-bromo-6-methyl-4-pyrimidinol6307-35-331 % similar 6,7-Dimethylpterin611-55-230 % similar 2-Amino-4-hydroxy-6-methylpyrimidine3977-29-530 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook