6-Chloro-4,5-pyrimidinediamine
Properties
- Molecular formula
- C4H5ClN4
- Molar mass
- 144.56 g/mol
- Exact mass
- 144.0203 Da
- Melting point
- 252 °C (decomposes)
- logP
- 0.12Crippen estimate
- Polar surface area
- 78.5 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed95% of notifiers
- H317 May cause an allergic skin reaction95% of notifiers
- H319 Causes serious eye irritation100% of notifiers
Aggregated from 40 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
4316-98-7SMILES
N=c1[nH]cnc(Cl)c1NInChIKey
VNSFICAUILKARD-UHFFFAOYSA-NInChI
InChI=1S/C4H5ClN4/c5-3-2(6)4(7)9-1-8-3/h1H,6H2,(H2,7,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 4,5-Pyrimidinediamine, 6-chloro-
- Pyrimidine, 4,5-diamino-6-chloro-
- 4,5-Diamino-6-chloropyrimidine
- NSC 36907
- 6-Chloropyrimidine-4,5-diamine
- 5,6-Diamino-4-chloropyrimidine
- 4-Chloropyrimidine-5,6-diamine
- 6-Chloro-4,5-diaminopyrimidine
Work with 6-Chloro-4,5-pyrimidinediamine
Similar compounds
4,5,6-Pyrimidinetriamine118-70-760 % similar
4-Amino-6-chloro-5-pyrimidinecarboxaldehyde14160-93-151 % similar
6-Chloro-5-methoxy-4-pyrimidinamine5018-41-751 % similar
4,5,6-Triaminopyrimidine sulfate49721-45-146 % similar
5-Amino-4,6-dichloropyrimidine5413-85-445 % similar
4,5-Dichloroimidazole15965-30-743 % similar
5-Bromo-4-chloro-2,3-pyridinediamine1131604-99-341 % similar
4,5-Diaminopyrimidine13754-19-338 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.