Toxopyrimidine

C6H9N3OCAS 73-67-6139.16 g/mol

Open in Covalent MOL file
NOHNHHN
Alcohol

Properties

Molecular formula
C6H9N3O
Molar mass
139.16 g/mol
Exact mass
139.0746 Da
Melting point
198 °C
logP
-0.31Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
73-67-6
SMILES
Cc1ncc(CO)c(=N)[nH]1
InChIKey
VUTBELPREDJDDH-UHFFFAOYSA-N
InChI
InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)

Weigh it out

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

Names and synonyms

18 names · show all
  • 5-Pyrimidinemethanol, 4-amino-2-methyl-
  • 4-Amino-2-methyl-5-pyrimidinemethanol
  • 4-Amino-5-hydroxymethyl-2-methylpyrimidine
  • 6-Amino-5-hydroxymethyl-2-methylpyrimidine
  • 2-Methyl-4-amino-5-pyrimidinemethanol
  • 2-Methyl-4-amino-5-(hydroxymethyl)pyrimidine
  • OMPM
  • Pyramin
  • TXP
  • Pyramine
  • Pyrazan
  • 2-Methyl-5-hydroxymethyl-6-aminopyrimidine
  • 2-Methyl-6-amino-5-hydroxymethylpyrimidine
  • Pyramine (pyridoxine antagonist)
  • NSC 28247
  • 4-Amino-2-methyl-5-hydroxymethylpyrimidine
  • (4-Imino-2-methyl-1,4-dihydropyrimidin-5-yl)methanol
  • (4-Amino-2-methyl-pyrimidin-5-yl)-methanol

Work with Toxopyrimidine

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

4-Amino-2-methyl-5-pyrimidinemethanamine95-02-365 % similar 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium70-16-649 % similar Vitamin B159-43-846 % similar 5-Methylcytosine554-01-844 % similar Thiamine hydrochloride67-03-844 % similar Thiamine disulfide67-16-344 % similar Nimustine42471-28-343 % similar Thiamine nitrate532-43-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Dimethyl-1H-pyrazole-5-carboxamide136678-93-8 2,3-Diamino-6-methoxypyridine28020-38-4 2-Amino-5,6-dimethyl-4(3H)-pyrimidinone3977-23-9 2-Amino-6-ethylpyrimidin-4-ol5734-66-7 4-Methoxy-6-methylpyrimidin-2-amine7749-47-5 3,5-Dimethyl-1H-pyrazole-1-carboxamide934-48-5

Elsewhere

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