2,4-Diaminopyrimidine 3-N-oxide

C₄H₆N₄OCAS 74638-76-9126.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₆N₄O
Molar mass: 126.12 g/mol
Exact mass: 126.0542 Da
logP: -1.29Crippen estimate
Polar surface area: 92.6 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 0

Identifiers

CAS number

74638-76-9

SMILES

N=c1[nH]ccc(N)[n+]1[O-]

InChIKey

SGHQFNHCCOBUKB-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N4O/c5-3-1-2-7-4(6)8(3)9/h1-2H,5H2,(H2,6,7)

Weigh it out

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

Names and synonyms

3 names

2,4-Pyrimidinediamine, 3-oxide
Kopexil
2,6-Diaminopyrimidin-1-ium-1-olate

Work with 2,4-Diaminopyrimidine 3-N-oxide

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-chloropyrimidine 3-oxide35139-67-447 % similar Triaminodil55921-65-841 % similar Minoxidil38304-91-540 % similar 2,4-Diaminopyridine461-88-133 % similar

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

Same formula

4,5-Diamino-6-hydroxypyrimidine1672-50-0 6-Hydrazinyl-2(1H)-pyrimidinone3310-41-6 5-Aminoimidazole-4-carboxamide360-97-4 2,4-Diamino-6-hydroxypyrimidine56-06-4

Elsewhere

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