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2-amino-5-{[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino}pentanoic acid

2-amino-5-{[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino}pentanoic acid

CAS: 2068766-03-8

Formula: C19H21N5O2S

SMILES: CC1=C(SC(=N1)C1=CC=CC=C1)C1=NC(NCCCC(N)C(O)=O)=NC=C1

IUPAC: 2-amino-5-{[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino}pentanoic acid

InChI: InChI=1/C19H21N5O2S/c1-12-16(27-17(23-12)13-6-3-2-4-7-13)15-9-11-22-19(24-15)21-10-5-8-14(20)18(25)26/h2-4,6-7,9,11,14H,5,8,10,20H2,1H3,(H,25,26)(H,21,22,24)

Composition: C (59.51%), H (5.52%), N (18.26%), O (8.34%), S (8.36%)

Molar Mass: 383.47

Atom Count: 48

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 383.14159611
Formal Charge 0
FSP3 0.26
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 3
InChIKey RKVUNKSNBGEQSM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 115.6
Topological Polar Surface Area 114.02
Polarizability 41.69
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 2068766-03-8 $51.35-$86.31$51.35$63.37$86.31
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