Triaminodil

C₈H₁₃N₅OCAS 55921-65-8195.23 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₈H₁₃N₅O
Molar mass: 195.23 g/mol
Exact mass: 195.1120 Da
Melting point: 278 °C (decomposes)
logP: -0.69Crippen estimate
Polar surface area: 95.8 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 1

Identifiers

CAS number

55921-65-8

SMILES

N=c1[nH]c(N2CCCC2)cc(N)[n+]1[O-]

InChIKey

FMVJDYVWXJHAFZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H13N5O/c9-6-5-7(11-8(10)13(6)14)12-3-1-2-4-12/h5H,1-4,9H2,(H2,10,11)

Weigh it out

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

Names and synonyms

3 names

2,4-Pyrimidinediamine, 6-(1-pyrrolidinyl)-, 3-oxide
2,4-Diamino-6-pyrrolidinopyrimidine 3-oxide
2,6-Diamino-4-(pyrrolidin-1-yl)pyrimidine 1-oxide

Work with Triaminodil

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

Minoxidil38304-91-597 % similar 2,4-Diamino-6-chloropyrimidine 3-oxide35139-67-453 % similar 2,4-Diaminopyrimidine 3-N-oxide74638-76-941 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook