chempirical

7-Methylguanine

C6H7N5OCAS 578-76-7165.16 g/mol

Open in Covalent MOL file
NNNHNHNHO
Phenol

Properties

Molecular formula
C6H7N5O
Molar mass
165.16 g/mol
Exact mass
165.0651 Da
Melting point
370 °C
logP
-0.52Crippen estimate
Polar surface area
90.6 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
0

Identifiers

CAS number
578-76-7
SMILES
Cn1cnc2[nH]c(=N)nc(O)c21
InChIKey
FZWGECJQACGGTI-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)

Weigh it out

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

Names and synonyms

13 names · show all
  • 6H-Purin-6-one, 2-amino-1,7-dihydro-7-methyl-
  • Guanine, 7-methyl-
  • 2-Amino-1,7-dihydro-7-methyl-6H-purin-6-one
  • N7-Methylguanine
  • 2-Amino-7-methylhypoxanthine
  • NSC 193444
  • NSC 19647
  • 2-Amino-7-methyl-7H-purin-6-ol
  • 2-Amino-7-methyl-1H-purin-6(7H)-one
  • 2-Imino-7-methyl-2,3,6,7-tetrahydro-1H-purin-6-one
  • 2-Amino-7-methyl-3H-purin-6-one
  • 2-Amino-7-methyl-6,7-dihydro-3H-purin-6-one
  • 2-Amino-7-methyl-6,7-dihydro-1H-purin-6-one

Work with 7-Methylguanine

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

Pterin2236-60-448 % similar 7-Methylxanthine552-62-546 % similar 6,7-Dimethylpterin611-55-243 % similar Theobromine83-67-042 % similar Xanthopterin monohydrate5979-01-140 % similar 2-Amino-5,6-dimethyl-4(3H)-pyrimidinone3977-23-940 % similar Guanine73-40-540 % similar Biopterin22150-76-139 % similar

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

Same formula

6-O-Methylguanine20535-83-5

Elsewhere

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