2,4-Diaminopyrimidine

C₄H₆N₄CAS 156-81-0110.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₆N₄
Molar mass: 110.12 g/mol
Exact mass: 110.0592 Da
Melting point: 149–150 °C
logP: -0.70Crippen estimate
Polar surface area: 79.3 Å²
H-bond donors / acceptors: 4 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation95.6% of notifiers
H319 Causes serious eye irritation95.6% of notifiers
H335 May cause respiratory irritation93.3% of notifiers

Aggregated from 45 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

156-81-0

SMILES

N=c1cc[nH]c(=N)[nH]1

InChIKey

YAAWASYJIRZXSZ-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h1-2H,(H4,5,6,7,8)

Weigh it out

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

Names and synonyms

3 names

2,4-Pyrimidinediamine
Pyrimidine, 2,4-diamino-
NSC 30856

Work with 2,4-Diaminopyrimidine

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

2-Aminoimidazole7720-39-048 % similar 2-Aminopurine452-06-243 % similar 2-Amino-4-methylpyridine695-34-142 % similar 4-Chloro-2-pyridinamine19798-80-241 % similar 2,4-Diaminopyridine461-88-141 % similar 1,3,5-Triazine-2,4-diamine504-08-541 % similar 4-Iodo-2-pyridinamine552331-00-741 % similar Pyrazol-3-ylamine1820-80-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,5-Diaminopyrimidine13754-19-3 2,5-Diaminopyrimidine22715-27-1 Pyrimidine-4,6-diamine2434-56-2 2,6-Pyrazinediamine(9ci)41536-80-5 Pyrazin-2-yl-hydrazine54608-52-5

Elsewhere

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