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N-hydroxy-2-[methyl({2-[6-(methylamino)pyridin-3-yl]-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl}methyl)amino]pyrimidine-5-carboxamide

N-hydroxy-2-[methyl({2-[6-(methylamino)pyridin-3-yl]-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl}methyl)amino]pyrimidine-5-carboxamide

CAS: 1235449-52-1

Formula: C23H25N9O3S

SMILES: CNC1=CC=C(C=N1)C1=NC(N2CCOCC2)=C2SC(CN(C)C3=NC=C(C=N3)C(=O)NO)=CC2=N1

IUPAC: N-hydroxy-2-[methyl({2-[6-(methylamino)pyridin-3-yl]-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl}methyl)amino]pyrimidine-5-carboxamide

InChI: InChI=1S/C23H25N9O3S/c1-24-18-4-3-14(10-25-18)20-28-17-9-16(36-19(17)21(29-20)32-5-7-35-8-6-32)13-31(2)23-26-11-15(12-27-23)22(33)30-34/h3-4,9-12,34H,5-8,13H2,1-2H3,(H,24,25)(H,30,33)

Composition: C (54.43%), H (4.96%), N (24.84%), O (9.46%), S (6.32%)

Molar Mass: 507.57

Atom Count: 61

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 507.180106875
Formal Charge 0
FSP3 0.3
Hetero Ring Count 5
Hydrogen Bond Acceptor Count 11
Hydrogen Bond Donor Count 3
InChIKey TWJZFXHSPBBPNI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 149.55
Topological Polar Surface Area 141.52
Polarizability 51.67
Ring Count 5
Rotatable Bond Count 7

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Purity (%)
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Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 1235449-52-1 $237.73-$1,414.14$237.73$338.63$1,011.30$1,414.14
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