4,6-Dichloro-2,5-pyrimidinediamine

C₄H₄Cl₂N₄CAS 55583-59-0179.00 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₄H₄Cl₂N₄
Molar mass: 179.00 g/mol
Exact mass: 177.9813 Da
Melting point: 188–191 °C (decomposes)
logP: 0.78Crippen estimate
Polar surface area: 78.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

55583-59-0

SMILES

N=c1nc(Cl)c(N)c(Cl)[nH]1

InChIKey

ZXWGHENZKVQKPX-UHFFFAOYSA-N

InChI

InChI=1S/C4H4Cl2N4/c5-2-1(7)3(6)10-4(8)9-2/h7H2,(H2,8,9,10)

Weigh it out

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

Names and synonyms

4 names

2,5-Pyrimidinediamine, 4,6-dichloro-
2,5-Diamino-4,6-dichloropyrimidine
NSC 176971
4,6-Dichloropyrimidine-2,5-diamine

Work with 4,6-Dichloro-2,5-pyrimidinediamine

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

N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide171887-03-947 % similar 4,6-Dichloro-2-methyl-5-pyrimidinamine39906-04-242 % similar 4-Hydroxy-2,5,6-triaminopyrimidine1004-75-739 % similar 2,5-Diamino-4,6-dihydroxypyrimidine40769-69-539 % similar 2-Aminoisocytosine56-06-436 % similar 2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride56830-58-136 % similar 6-Chloro-1,3,5-triazine-2,4-diamine3397-62-435 % similar 4,6-Dichloro-1,3,5-trazin-2-amine933-20-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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