2,4,6-Triaminopyrimidine

C₄H₇N₅CAS 1004-38-2125.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₇N₅
Molar mass: 125.14 g/mol
Exact mass: 125.0701 Da
Melting point: 249–251 °C
logP: -1.12Crippen estimate
Polar surface area: 105.3 Å²
H-bond donors / acceptors: 5 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation30% of notifiers
H319 Causes serious eye irritation30% of notifiers
H335 May cause respiratory irritation29.3% of notifiers
H412 Harmful to aquatic life with long lasting effects70% of notifiers

Aggregated from 150 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1004-38-2

SMILES

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

InChIKey

JTTIOYHBNXDJOD-UHFFFAOYSA-N

InChI

InChI=1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)

Weigh it out

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

Names and synonyms

3 names

2,4,6-Pyrimidinetriamine
Pyrimidine, 2,4,6-triamino-
NSC 26493

Work with 2,4,6-Triaminopyrimidine

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

2,4-Diamino-6-chloropyrimidine156-83-248 % similar 2,6-Diaminopyridine141-86-643 % similar 2,4-Diaminopyrimidine156-81-039 % similar Melamine108-78-138 % similar 2-Aminoisocytosine56-06-438 % similar 4-Thioxo-1H-pyrimidine-2,6-diammonium sulphate56-08-636 % similar 2,6-Diaminopurine1904-98-935 % similar 2-Amino-5,6-dimethylbenzimidazole29096-75-134 % similar

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

Same formula

4,5,6-Pyrimidinetriamine118-70-7 Acetoguanamine542-02-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook