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5-methyl-4-(pyrrolidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid

5-methyl-4-(pyrrolidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid

CAS: 878657-14-8

Formula: C12H13N3O2S

SMILES: CC1=C(SC2=NC=NC(N3CCCC3)=C12)C(O)=O

IUPAC: 5-methyl-4-(pyrrolidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid

InChI: InChI=1S/C12H13N3O2S/c1-7-8-10(15-4-2-3-5-15)13-6-14-11(8)18-9(7)12(16)17/h6H,2-5H2,1H3,(H,16,17)

Composition: C (54.74%), H (4.98%), N (15.96%), O (12.15%), S (12.18%)

Molar Mass: 263.32

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 263.072847845
Formal Charge 0
FSP3 0.42
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey IXHQYTOUJDGZKV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.38
Topological Polar Surface Area 66.32
Polarizability 25.99
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 878657-14-8 $404.27$404.27
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