chempirical

5-Nitropyrimidin-2-amine

C4H4N4O2CAS 3073-77-6140.10 g/mol

Open in Covalent MOL file
HNNN+OO−HN
Nitro

Properties

Molecular formula
C4H4N4O2
Molar mass
140.10 g/mol
Exact mass
140.0334 Da
Melting point
236 °C
logP
-0.20Crippen estimate
Polar surface area
95.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 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
3073-77-6
SMILES
N=c1ncc([N+](=O)[O-])c[nH]1
InChIKey
SSHFCFRJYJIJDV-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N4O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H,(H2,5,6,7)

Weigh it out

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

Names and synonyms

10 names
  • 2-Amino-5-nitropyrimidine
  • 2-Pyrimidinamine, 5-nitro-
  • Pyrimidine, 2-amino-5-nitro-
  • 5-Nitro-2-pyrimidinamine
  • Enheptin P
  • 5-Nitro-2-aminopyrimidine
  • NSC 37682
  • NSC 48065
  • 5-Nitropyrimidin-2-ylamine
  • 5-Nitropyrimidine-2-amine

Work with 5-Nitropyrimidin-2-amine

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-Nitropyrazole2075-46-950 % similar 2-Amino-5-nitropyridine4214-76-050 % similar 2-Chloro-5-nitropyrimidine10320-42-047 % similar 6-Iodo-3-nitropyridine28080-54-846 % similar 5-Nitro-1H-pyrrolo[2,3-B]pyridine101083-92-545 % similar 2-Chloro-5-nitropyridine4548-45-243 % similar 5-Iodo-2-pyrimidinamine1445-39-243 % similar 5-Chloro-2-pyrimidinamine5428-89-743 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook