2-Methyl-4-(9H-purin-6-ylamino)-2-buten-1-ol

C₁₀H₁₃N₅OCAS 13114-27-7219.25 g/mol

Open in Covalent MOL file

Alcohol Alkene Secondary amine

Properties

Molecular formula: C₁₀H₁₃N₅O
Molar mass: 219.25 g/mol
Exact mass: 219.1120 Da
logP: 0.66Crippen estimate
Polar surface area: 86.7 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 4

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

13114-27-7

SMILES

CC(=CCNc1nc[nH]c2ncnc1-2)CO

InChIKey

UZKQTCBAMSWPJD-UHFFFAOYSA-N

InChI

InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)

Weigh it out

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

Names and synonyms

4 names

2-Buten-1-ol, 2-methyl-4-(9H-purin-6-ylamino)-
2-Buten-1-ol, 2-methyl-4-(purin-6-ylamino)-
2-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylamino)-
2-Methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol

Work with 2-Methyl-4-(9H-purin-6-ylamino)-2-buten-1-ol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Zeatin1637-39-4

Similar compounds

Isopentenyladenine2365-40-473 % similar 6-Benzylaminopurine1214-39-748 % similar Kinetin525-79-144 % similar Zeatin riboside6025-53-238 % similar Adenine73-24-536 % similar 6-Bromo-9H-purine767-69-136 % similar 6-Chloropurine87-42-336 % similar Adenine hydrochloride2922-28-334 % similar

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

Elsewhere

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