chempirical

2,4-Diamino-6-chloropyrimidine 3-oxide

C4H5ClN4OCAS 35139-67-4160.56 g/mol

Open in Covalent MOL file
NHNHClH2NN+O−
Aryl halidePrimary amine

Properties

Molecular formula
C4H5ClN4O
Molar mass
160.56 g/mol
Exact mass
160.0152 Da
Melting point
193 °C
logP
-0.64Crippen estimate
Polar surface area
92.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Identifiers

CAS number
35139-67-4
SMILES
N=c1[nH]c(Cl)cc(N)[n+]1[O-]
InChIKey
CFHPTZFRFWGDPD-UHFFFAOYSA-N
InChI
InChI=1S/C4H5ClN4O/c5-2-1-3(6)9(10)4(7)8-2/h1H,6H2,(H2,7,8)

Weigh it out

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

Names and synonyms

6 names
  • 2,4-Pyrimidinediamine, 6-chloro-, 3-oxide
  • 6-Chloro-2,4-diaminopyrimidine 3-oxide
  • 6-Chloro-2,4-pyrimidinediamine 3-oxide
  • 2,4-Diamino-6-chloropyrimidine 3-N-oxide
  • NSC 137211
  • 2,6-Diamino-4-chloropyrimidine 1-oxide

Work with 2,4-Diamino-6-chloropyrimidine 3-oxide

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

Triaminodil55921-65-853 % similar Minoxidil38304-91-551 % similar 2,4-Diaminopyrimidine 3-N-oxide74638-76-947 % similar 2,4-Diamino-6-chloropyrimidine156-83-233 % similar 4,6-Dichloro-2-pyrimidinamine56-05-331 % similar 2-Amino-6-chloro-4(1H)-pyrimidinone1194-21-430 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook