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3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}amino)propanoic acid

3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}amino)propanoic acid

CAS: 690688-63-2

Formula: C11H13N3O2S

SMILES: CC1=C(C)C2=C(NCCC(O)=O)N=CN=C2S1

IUPAC: 3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}amino)propanoic acid

InChI: InChI=1S/C11H13N3O2S/c1-6-7(2)17-11-9(6)10(13-5-14-11)12-4-3-8(15)16/h5H,3-4H2,1-2H3,(H,15,16)(H,12,13,14)

Composition: C (52.57%), H (5.21%), N (16.72%), O (12.73%), S (12.76%)

Molar Mass: 251.3

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 251.072847845
Formal Charge 0
FSP3 0.36
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey ORTGYBZWTNZDIS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.4
Topological Polar Surface Area 75.11
Polarizability 24.8
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 690688-63-2 $225.66-$347.59$225.66$347.59
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