chempirical

Penciclovir

C10H15N5O3CAS 39809-25-1253.26 g/mol

Open in Covalent MOL file
HNNHONNOHOHNH
AlcoholPhenol

Properties

Molecular formula
C10H15N5O3
Molar mass
253.26 g/mol
Exact mass
253.1175 Da
Melting point
275–277 °C
logP
-1.06Crippen estimate
Polar surface area
131.0 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
5

Identifiers

CAS number
39809-25-1
SMILES
N=c1nc(O)c2ncn(CCC(CO)CO)c2[nH]1
InChIKey
JNTOCHDNEULJHD-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)

Weigh it out

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

Names and synonyms

10 names
  • 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)butyl]-
  • 2-Amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)butyl]-6H-purin-6-one
  • BRL 39123
  • 9-[4-Hydroxy-3-(hydroxymethyl)butyl]guanine
  • VSA 671
  • Denavir
  • Penxiluowei
  • 2-Amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one
  • 2-Amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-6,9-dihydro-1H-purin-6-one
  • 2-Amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3,9-dihydropurin-6-one

Work with Penciclovir

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

Ganciclovir82410-32-066 % similar Acyclovir59277-89-358 % similar Dideoxyguanosine85326-06-356 % similar 9-[[2-(Acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-6H-purin-6-one88110-89-852 % similar Guanosine118-00-352 % similar 9-β-D-Arabinofuranosylguanine38819-10-252 % similar Guanosine85-30-352 % similar Deoxyguanosine961-07-951 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook