6-[(3R)-3-azanylpyrrolidin-1-yl]-N4-cyclohexyl-pyrimidine-2,4-diamine; ethanoic acid

Systemtic Name: 6-[(3R)-3-azanylpyrrolidin-1-yl]-N4-cyclohexyl-pyrimidine-2,4-diamine; ethanoic acid Openeye Name: acetic acid; 6-[(3R)-3-aminopyrrolidin-1-yl]-N4-cyclohexyl-pyrimidine-2,4-diamine CAS Name: acetic acid; 6-[(3R)-3-amino-1-pyrrolidinyl]-N4-cyclohexylpyrimidine-2,4-diamine IUPAC Name: acetic acid; 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-cyclohexylpyrimidine-2,4-diamine Traditional Name: acetic acid; [2-amino-6-[(3R)-3-aminopyrrolidino]pyrimidin-4-yl]-cyclohexyl-amine Formula: C20H36N6O6 MolecularWeight: 456.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.CC(=O)O.C1CCC(CC1)NC2=NC(=NC(=C2)N3CCC(C3)N)N

Isomeric SMILES

CC(=O)O.CC(=O)O.CC(=O)O.C1CCC(CC1)NC2=NC(=NC(=C2)N3CC[C@H](C3)N)N

InChI

InChI=1S/C14H24N6.3C2H4O2/c15-10-6-7-20(9-10)13-8-12(18-14(16)19-13)17-11-4-2-1-3-5-11;3*1-2(3)4/h8,10-11H,1-7,9,15H2,(H3,16,17,18,19);3*1H3,(H,3,4)/t10-;;;/m1.../s1