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(1r,4r)-4-{[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)pyridin-2-yl]pyrimidin-4-yl]amino}cyclohexan-1-ol

(1r,4r)-4-{[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)pyridin-2-yl]pyrimidin-4-yl]amino}cyclohexan-1-ol

CAS: 1493694-70-4

Formula: C24H36N6O2

SMILES: CCCCNC1=NC=C(C(N[C@H]2CC[C@H](O)CC2)=N1)C1=NC=C(CN2CCOCC2)C=C1

IUPAC: (1r,4r)-4-{[2-(butylamino)-5-{5-[(morpholin-4-yl)methyl]pyridin-2-yl}pyrimidin-4-yl]amino}cyclohexan-1-ol

InChI: InChI=1/C24H36N6O2/c1-2-3-10-25-24-27-16-21(23(29-24)28-19-5-7-20(31)8-6-19)22-9-4-18(15-26-22)17-30-11-13-32-14-12-30/h4,9,15-16,19-20,31H,2-3,5-8,10-14,17H2,1H3,(H2,25,27,28,29)/t19-,20-

Composition: C (65.43%), H (8.24%), N (19.07%), O (7.26%)

Molar Mass: 440.592

Atom Count: 68

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 440.289974423
Formal Charge 0
FSP3 0.62
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 3
InChIKey HSYSSKFCQHXOBP-MXVIHJGJNA-N
Lipinski's Rule of Five 1
Molar Refractivity 130.15
Topological Polar Surface Area 95.43
Polarizability 49.87
Ring Count 4
Rotatable Bond Count 9

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1493694-70-4 $185.73-$1,057.54$185.73$185.73$303.72$1,057.54
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Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 1493694-70-4 $38.22-$687.20$38.22$46.63$77.20$274.42$460.93$687.20
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