chempirical

9-Deazaguanine

C6H6N4OCAS 65996-58-9150.14 g/mol

Open in Covalent MOL file
HNNNHONH2
Primary amine

Properties

Molecular formula
C6H6N4O
Molar mass
150.14 g/mol
Exact mass
150.0542 Da
logP
-0.17Crippen estimate
Polar surface area
87.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
65996-58-9
SMILES
C1=CNC2=C1N=C(NC2=O)N
InChIKey
FFYPRJYSJODFFD-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N4O/c7-6-9-3-1-2-8-4(3)5(11)10-6/h1-2,8H,(H3,7,9,10,11)

Weigh it out

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

Names and synonyms

1 names
  • 4H-Pyrrolo[3,2-D]pyrimidin-4-one, 2-amino-1,5-dihydro- (9ci)

Work with 9-Deazaguanine

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

9-Deazahypoxanthine5655-01-649 % similar 5H-Pyrrolo[3,2-D]pyrimidin-4-amine (9ci)2227-98-737 % similar 2,4-Dichloro-5H-pyrrolo[3,2-D]pyrimidine63200-54-437 % similar 5-Bromo-1H-benzimidazole-2-amine791595-74-934 % similar 2-Amino-6-chloro-5-nitro-3,4-dihydropyrimidin-4-one1007-99-433 % similar 2-Amino-6-phenylpyrimidin-4-ol56741-94-733 % similar 2-Amino-4,6-dihydroxy-5-nitropyrimidine80466-56-433 % similar 3-Amino-2-pyridinol59315-44-532 % similar

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

Same formula

6-Methoxy-9H-purine1074-89-1 4-Hydroxy-6-methyl-1,3,3a,7-tetraazaindene2503-56-2 7-Deazaguanine7355-55-7

Elsewhere

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