chempirical

6,7-Dimethylpterin

C8H9N5OCAS 611-55-2191.19 g/mol

Open in Covalent MOL file
NHNNHNOHN
Phenol

Properties

Molecular formula
C8H9N5O
Molar mass
191.19 g/mol
Exact mass
191.0807 Da
Melting point
above 260 °C
logP
0.15Crippen estimate
Polar surface area
98.5 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
0

Identifiers

CAS number
611-55-2
SMILES
Cc1nc2[nH]c(=N)nc(O)c2nc1C
InChIKey
ZKWZUPPXTCQQJL-UHFFFAOYSA-N
InChI
InChI=1S/C8H9N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h1-2H3,(H3,9,11,12,13,14)

Weigh it out

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

Names and synonyms

11 names
  • 4(3H)-Pteridinone, 2-amino-6,7-dimethyl-
  • 4(1H)-Pteridinone, 2-amino-6,7-dimethyl-
  • 4-Pteridinol, 2-amino-6,7-dimethyl-
  • 2-Amino-6,7-dimethyl-4(3H)-pteridinone
  • 2-Amino-4-hydroxy-6,7-dimethylpteridine
  • 2-Amino-6,7-dimethylpteridin-4-ol
  • NSC 31671
  • 2-Amino-6,7-dimethyl-4-hydroxypteridine
  • 2-Amino-6,7-dimethyl-1H-pteridin-4-one
  • 2-Amino-6,7-dimethyl-4,8-dihydropteridin-4-one
  • 2-Amino-6,7-dimethyl-3,4-dihydropteridin-4-one

Work with 6,7-Dimethylpterin

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

Pterin2236-60-453 % similar 2-Amino-5,6-dimethyl-4(3H)-pyrimidinone3977-23-949 % similar Biopterin22150-76-146 % similar 8-Azaguanine134-58-745 % similar 2-Amino-5-bromo-6-methyl-4-pyrimidinol6307-35-345 % similar 8-Mercaptoguanine28128-40-744 % similar Guanine73-40-544 % similar 7-Methylguanine578-76-743 % similar

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

Elsewhere

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