2-[(5-chloro-2-{[2-methoxy-4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)amino]-N-methylbenzamide

2-[(5-chloro-2-{[2-methoxy-4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)amino]-N-methylbenzamide

CAS: 761437-28-9

Formula: C23H25ClN6O3

SMILES: CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(C=C2OC)N2CCOCC2)=NC=C1Cl

IUPAC: 2-[(5-chloro-2-{[2-methoxy-4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)amino]-N-methylbenzamide

InChI: InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)

Composition: C (58.91%), H (5.37%), Cl (7.56%), N (17.92%), O (10.24%)

Molar Mass: 468.94

Atom Count: 58

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	468.1676664
Formal Charge	0
FSP3	0.26
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
InChIKey	UYJNQQDJUOUFQJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	128.7
Topological Polar Surface Area	100.64
Polarizability	47.6
Ring Count	4
Rotatable Bond Count	7

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