2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N-[3-chloro-4-(morpholin-4-yl)phenyl]acetamide

2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N-[3-chloro-4-(morpholin-4-yl)phenyl]acetamide

Formula: C17H17ClN6O2S

SMILES: NC1=NC(SCC(=O)NC2=CC=C(N3CCOCC3)C(Cl)=C2)=NC=C1C#N

IUPAC: 2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N-[3-chloro-4-(morpholin-4-yl)phenyl]acetamide

InChI: InChI=1S/C17H17ClN6O2S/c18-13-7-12(1-2-14(13)24-3-5-26-6-4-24)22-15(25)10-27-17-21-9-11(8-19)16(20)23-17/h1-2,7,9H,3-6,10H2,(H,22,25)(H2,20,21,23)

Composition: C (50.43%), H (4.23%), Cl (8.76%), N (20.76%), O (7.90%), S (7.92%)

Molar Mass: 404.87

Atom Count: 44

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	404.0822227
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	HRFSQQMQIRFHJA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.98
Topological Polar Surface Area	117.16
Polarizability	39.49
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H17ClN6O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00