5H-Pyrrolo[3,2-D]pyrimidin-4-amine (9ci)

C₆H₆N₄CAS 2227-98-7134.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₆N₄
Molar mass: 134.14 g/mol
Exact mass: 134.0592 Da
logP: 0.54Crippen estimate
Polar surface area: 67.6 Å²
H-bond donors / acceptors: 2 / 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

2227-98-7

SMILES

C1=CNC2=C1N=CN=C2N

InChIKey

YRVFQPBPZCRUDX-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N4/c7-6-5-4(1-2-8-5)9-3-10-6/h1-3,8H,(H2,7,9,10)

Weigh it out

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Names and synonyms

1 names

5H-Pyrrolo(3,2-d)pyrimidin-4-amine

Work with 5H-Pyrrolo[3,2-D]pyrimidin-4-amine (9ci)

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

7-Chloro-1H-pyrrolo[3,2-b]pyridine357263-48-041 % similar 9-Deazahypoxanthine5655-01-641 % similar Adenine hydrochloride hemihydrate6055-72-739 % similar Pyrrolopyrimidine272-50-439 % similar 4-Amino-7H-pyrrolo[2,3-d]pyrimidine Hydrogen Sulfate769951-32-839 % similar Adenine73-24-538 % similar 5-Fluoroquinazolin-4-amine137553-48-138 % similar 1H-Pyrrolo[3,2-c]pyridin-4-amine60290-23-537 % similar

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

Same formula

7-Deazaadenine1500-85-2 Pyrrolo[2,1-f][1,2,4]triazin-4-amine159326-68-8 1-Aminobenzotriazole1614-12-6 2,2′-Biimidazole492-98-8 1H-Pyrazolo[3,4-B]pyridin-3-amine6752-16-5 4-Amino-2-methyl-5-pyrimidinecarbonitrile698-29-3

Elsewhere

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