chempirical

Pterin

C6H5N5OCAS 2236-60-4163.14 g/mol

Open in Covalent MOL file
HNNOHNNHN
Phenol

Properties

Molecular formula
C6H5N5O
Molar mass
163.14 g/mol
Exact mass
163.0494 Da
Melting point
above 360 °C
logP
-0.46Crippen estimate
Polar surface area
98.5 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
0

Identifiers

CAS number
2236-60-4
SMILES
N=c1nc(O)c2nccnc2[nH]1
InChIKey
HNXQXTQTPAJEJL-UHFFFAOYSA-N
InChI
InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)

Weigh it out

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

Names and synonyms

20 names · show all
  • 4(3H)-Pteridinone, 2-amino-
  • 4(1H)-Pteridinone, 2-amino-
  • 2-Amino-4(3H)-pteridinone
  • 2-Amino-4-hydroxypteridine
  • Pteridoxamine
  • 2-Amino-4-pteridone
  • 4-Oxopterin
  • 4-Oxo-2-aminopteridine
  • 2-Amino-4(1H)-pteridinone
  • 2-Amino-4-oxopteridine
  • 2-Aminopteridin-4-one
  • Pterine
  • NSC 11540
  • NSC 170929
  • NSC 18696
  • 2-Amino-1,4-dihydropteridin-4-one
  • 2-Amino-4,8-dihydropteridin-4-one
  • 2-Aminopteridin-4-ol
  • 2-Amino-1H-pteridin-4-one
  • 2-Amino-3,4-dihydropteridin-4-one

Work with Pterin

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

Biopterin22150-76-153 % similar 6,7-Dimethylpterin611-55-253 % similar Guanine73-40-553 % similar Guanine hydrochloride635-39-249 % similar 7-Methylguanine578-76-748 % similar 8-Azaguanine134-58-746 % similar Xanthopterin monohydrate5979-01-145 % similar 8-Mercaptoguanine28128-40-745 % similar

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

Elsewhere

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