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2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide hydrochloride

2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide hydrochloride

CAS: 1370261-97-4

Formula: C19H24ClN9O

SMILES: Cl[H].N[C@H]1CCCC[C@H]1NC1=NC=C(C(N)=O)C(NC2=CC=CC(=C2)N2N=CC=N2)=N1

IUPAC: 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide hydrochloride

InChI: InChI=1S/C19H23N9O.ClH/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28;/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27);1H/t15-,16+;/m0./s1

Composition: C (53.08%), H (5.63%), Cl (8.25%), N (29.32%), O (3.72%)

Molar Mass: 429.91

Atom Count: 54

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 429.1792341
Formal Charge 0
FSP3 0.32
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
InChIKey RMNLLPXCNDZJMJ-IDVLALEDSA-N
Lipinski's Rule of Five 1
Molar Refractivity 122.38
Topological Polar Surface Area 149.66
Polarizability 41.28
Ring Count 4
Rotatable Bond Count 6

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