(Pyrimidin-4-yl)methanol

C₅H₆N₂OCAS 33581-98-5110.12 g/mol

Open in Covalent MOL file

Alcohol

Properties

Molecular formula: C₅H₆N₂O
Molar mass: 110.12 g/mol
Exact mass: 110.0480 Da
logP: -0.03Crippen estimate
Polar surface area: 46.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed86.4% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage86.4% of notifiers
H319 Causes serious eye irritation13.6% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

33581-98-5

SMILES

OCc1ccncn1

InChIKey

OEYVFRVNVPKHQQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H6N2O/c8-3-5-1-2-6-4-7-5/h1-2,4,8H,3H2

Weigh it out

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

Names and synonyms

3 names

4-Pyrimidinemethanol
4-(Hydroxymethyl)pyrimidine
Pyrimidin-4-ylmethanol

Work with (Pyrimidin-4-yl)methanol

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-Pyridinemethanol586-98-152 % similar 2-Pyrazinemethanol6705-33-546 % similar 4-Pyridinemethanol586-95-846 % similar 4-Hydroxypyrimidine4562-27-044 % similar 4(3H)-Pyrimidinone51953-17-444 % similar (5-Fluoropyridin-2-yl)methanol802325-29-742 % similar 2-Hydroxymethyl-5-bromopyridine88139-91-742 % similar 2,6-Pyridinedimethanol1195-59-141 % similar

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

Same formula

3-Methyl-1H-pyrazole-4-carbaldehyde112758-40-4 6-Methylpyridazin-3(2H)-one13327-27-0 1-Methyl-2-imidazolecarboxaldehyde13750-81-7 3-Hydroxypentanedinitrile13880-89-2 2-Aminopyridine N-oxide14150-95-9 4-Methylpyrimidin-2-ol hydrochloride15231-48-8 2-Amino-3-hydroxypyridine16867-03-1 1-Methyl-1H-imidazole-4-carbaldehyde17289-26-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook