3,3'-(2,4-Diamino-6,7-pteridinediyl)bisphenol

C₁₈H₁₄N₆O₂CAS 677297-51-7346.35 g/mol

Open in Covalent MOL file

Phenol Primary amine

Properties

Molecular formula: C₁₈H₁₄N₆O₂
Molar mass: 346.35 g/mol
Exact mass: 346.1178 Da
logP: 2.33Crippen estimate
Polar surface area: 144.1 Å²
H-bond donors / acceptors: 4 / 8
Rotatable bonds: 2

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

677297-51-7

SMILES

C1=CC(=CC(=C1)O)C2=NC3=C(N=C(N=C3N=C2C4=CC(=CC=C4)O)N)N

InChIKey

UJIAQDJKSXQLIT-UHFFFAOYSA-N

InChI

InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)

Weigh it out

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Work with 3,3'-(2,4-Diamino-6,7-pteridinediyl)bisphenol

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

3,3'-Biphenyldiol612-76-041 % similar 3-Phenylphenol580-51-838 % similar 3-Aminophenol591-27-534 % similar 4,6-Diphenylpyrimidin-2-amine40230-24-833 % similar Resorcinol108-46-332 % similar 6-Bromomethyl-pteridine-2,4-diamine hbr52853-40-432 % similar m-Aminophenol hydrochloride51-81-032 % similar 2,4-Diamino-5-fluoroquinazoline119584-70-231 % similar

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

Elsewhere

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