4,6-Diamino-5-nitropyrimidine

C₄H₅N₅O₂CAS 2164-84-3155.12 g/mol

Open in Covalent MOL file

Nitro Primary 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 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 1

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 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 2-Amino-3-nitropyridine4214-75-938 % similar 2-Chloro-5-nitro-4-pyrimidinamine1920-66-738 % similar 2-Amino-5-nitropyrimidine3073-77-637 % 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