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2-amino-4-{2,4-dichloro-5-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide

2-amino-4-{2,4-dichloro-5-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide

CAS: 847559-80-2

Formula: C21H23Cl2N5O2S

SMILES: CCNC(=O)C1=CC2=C(N=C(N)N=C2S1)C1=CC(OCCN2CCCC2)=C(Cl)C=C1Cl

IUPAC: 2-amino-4-{2,4-dichloro-5-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide

InChI: InChI=1S/C21H23Cl2N5O2S/c1-2-25-19(29)17-10-13-18(26-21(24)27-20(13)31-17)12-9-16(15(23)11-14(12)22)30-8-7-28-5-3-4-6-28/h9-11H,2-8H2,1H3,(H,25,29)(H2,24,26,27)

Composition: C (52.50%), H (4.83%), Cl (14.76%), N (14.58%), O (6.66%), S (6.67%)

Molar Mass: 480.41

Atom Count: 54

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 479.0949516
Formal Charge 0
FSP3 0.38
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey WJUNQSYQHHIVFX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 125.57
Topological Polar Surface Area 93.37
Polarizability 49
Ring Count 4
Rotatable Bond Count 7

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