tert-butyl 3-({[6-(cyclopropylamino)pyrimidin-4-yl]amino}methyl)piperidine-1-carboxylate

tert-butyl 3-({[6-(cyclopropylamino)pyrimidin-4-yl]amino}methyl)piperidine-1-carboxylate

Formula: C18H29N5O2

SMILES: CC(C)(C)OC(=O)N1CCCC(CNC2=CC(NC3CC3)=NC=N2)C1

IUPAC: tert-butyl 3-({[6-(cyclopropylamino)pyrimidin-4-yl]amino}methyl)piperidine-1-carboxylate

InChI: InChI=1/C18H29N5O2/c1-18(2,3)25-17(24)23-8-4-5-13(11-23)10-19-15-9-16(21-12-20-15)22-14-6-7-14/h9,12-14H,4-8,10-11H2,1-3H3,(H2,19,20,21,22)

Composition: C (62.22%), H (8.41%), N (20.16%), O (9.21%)

Molar Mass: 347.463

Atom Count: 54

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	347.232125194
Formal Charge	0
FSP3	0.72
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	QASQIZRAYCXBTM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.82
Topological Polar Surface Area	79.38
Polarizability	37.06
Ring Count	3
Rotatable Bond Count	7

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C18H29N5O2		Quote Only