N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide

N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide

CAS: 1190378-57-4

Formula: C26H36N6O2

SMILES: O=C(NCCCNC1=NC(NC2=CC=CC(CN3CCOCC3)=C2)=NC=C1C1CC1)C1CCC1

IUPAC: N-(3-{[5-cyclopropyl-2-({3-[(morpholin-4-yl)methyl]phenyl}amino)pyrimidin-4-yl]amino}propyl)cyclobutanecarboxamide

InChI: InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)

Composition: C (67.21%), H (7.81%), N (18.09%), O (6.89%)

Molar Mass: 464.614

Atom Count: 70

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	464.289974423
Formal Charge	0
FSP3	0.58
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	UKBGBACORPRCGG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	135.93
Topological Polar Surface Area	91.41
Polarizability	51.03
Ring Count	5
Rotatable Bond Count	11

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