N-[4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)phenyl]pyrrolidine-2-carboxamide

N-[4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)phenyl]pyrrolidine-2-carboxamide

CAS: 945755-56-6

Formula: C25H28N6O2

SMILES: O=C(NC1=CC=C(C=C1)C1=CC=NC(NC2=CC=C(C=C2)N2CCOCC2)=N1)C1CCCN1

IUPAC: N-[4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)phenyl]pyrrolidine-2-carboxamide

InChI: InChI=1/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)

Composition: C (67.55%), H (6.35%), N (18.91%), O (7.20%)

Molar Mass: 444.539

Atom Count: 61

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	444.227374166
Formal Charge	0
FSP3	0.32
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	ISOCDPQFIXDIMS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	129.71
Topological Polar Surface Area	91.41
Polarizability	49.89
Ring Count	5
Rotatable Bond Count	6

Suppliers

Selleck Chemicals

Supplier Profile

Purity	LeadTime	CAS		UnitPrice
98%	<10 Days	945755-56-6		Quote Only

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	945755-56-6		$417.34$417.34

J&W PHARMLAB LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	945755-56-6		$101.20-$4,577.00$101.20$172.50$287.50$862.50$2,587.50$4,577.00