chempirical

7-Deazaguanine

C6H6N4OCAS 7355-55-7150.14 g/mol

Open in Covalent MOL file
HNONHNH2N
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
7355-55-7
SMILES
C1=CNC2=C1C(=O)NC(=N2)N
InChIKey
OLAFFPNXVJANFR-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)

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Names and synonyms

1 names
  • 2-Amino-4-hydroxypyrrolo[2,3-D]pyrimidine

Work with 7-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

2-Amino-4-chloropyrrolo[2,3-D]pyrimidine84955-31-741 % similar 7-Deazaxanthine39929-79-837 % similar 4,6-Dichloro-1H-pyrrolo[2,3-b]pyridine5912-18-535 % similar 4-Chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine71149-52-534 % 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 4-Amino-7H-pyrrolo[2,3-d]pyrimidine Hydrogen Sulfate769951-32-833 % 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 9-Deazaguanine65996-58-9

Elsewhere

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