4,6-Diamino-5-nitropyrimidine

C4H5N5O2CAS 2164-84-3155.12 g/mol

Open in Covalent MOL file
NHNHNH2NN+OO−
NitroPrimary amine

Properties

Molecular formula
C4H5N5O2
Molar mass
155.12 g/mol
Exact mass
155.0443 Da
Melting point
above 250 °C
logP
-0.62Crippen estimate
Polar surface area
121.7 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
2164-84-3
SMILES
N=c1[nH]cnc(N)c1[N+](=O)[O-]
InChIKey
KUCFBGFPXUXWBQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H5N5O2/c5-3-2(9(10)11)4(6)8-1-7-3/h1H,(H4,5,6,7,8)

Weigh it out

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

Names and synonyms

5 names
  • 4,6-Pyrimidinediamine, 5-nitro-
  • Pyrimidine, 4,6-diamino-5-nitro-
  • 5-Nitro-4,6-pyrimidinediamine
  • NSC 26753
  • NSC 45756

Work with 4,6-Diamino-5-nitropyrimidine

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

4,5,6-Pyrimidinetriamine118-70-750 % similar 2-Amino-4-methyl-3-nitropyridine6635-86-545 % similar 2-Amino-4-chloro-3-nitropyridine6980-08-145 % similar 2-Amino-4,5-dichloro-3-nitropyridine662116-67-844 % similar 4,5,6-Triaminopyrimidine sulfate49721-45-143 % similar 2-Amino-5-bromo-4-methyl-3-nitropyridine100367-40-642 % similar 5-Bromo-4-chloro-3-nitro-2-pyridinamine942947-95-742 % similar 5-Methyl-4-nitroimidazole14003-66-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Diamino-5-nitroso-4(3H)-pyrimidinone2387-48-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook