chempirical

(±)-Ancymidol

C15H16N2O2CAS 12771-68-5256.31 g/mol

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Properties

Molecular formula
C15H16N2O2
Molar mass
256.31 g/mol
Exact mass
256.1212 Da
Melting point
110–111 °C
logP
2.13Crippen estimate
Polar surface area
55.2 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Identifiers

CAS number
12771-68-5
SMILES
COc1ccc(C(O)(c2cncnc2)C2CC2)cc1
InChIKey
HUTDUHSNJYTCAR-UHFFFAOYSA-N
InChI
InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • 5-Pyrimidinemethanol, α-cyclopropyl-α-(4-methoxyphenyl)-
  • 5-Pyrimidinemethanol, α-cyclopropyl-α-(p-methoxyphenyl)-
  • α-Cyclopropyl-α-(4-methoxyphenyl)-5-pyrimidinemethanol
  • Ancymidol
  • α-Cyclopropyl-α-(4-methoxyphenyl)-5-pyrimidinylmethanol
  • α-Cyclopropyl-α-(methoxyphenyl)-5-pyrimidinemethanol
  • A-Rest
  • EL 531
  • Thritone
  • Reducymol
  • Amcymidol

Work with (±)-Ancymidol

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

α-Cyclopropyl-α-phenylbenzenemethanol5785-66-044 % similar 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid16728-01-138 % similar 1,1-Bis(4-methoxyphenyl)prop-2-yn-1-ol101597-25-538 % similar 4-tert-Butylanisole5396-38-338 % similar Azacyclonol115-46-836 % similar (S)-1-(4-Methoxyphenyl)ethanol1572-97-035 % similar 1-(4-Methoxyphenyl)ethanol3319-15-135 % similar 1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol93413-77-535 % similar

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

Same formula

N-(4-Amino-5-methoxy-2-methylphenyl)benzamide99-21-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook