6-(4-benzylpiperidin-1-yl)-5-nitro-2-(pyrrolidin-1-yl)pyrimidin-4-amine

6-(4-benzylpiperidin-1-yl)-5-nitro-2-(pyrrolidin-1-yl)pyrimidin-4-amine

Formula: C20H26N6O2

SMILES: NC1=C(C(=NC(=N1)N1CCCC1)N1CCC(CC2=CC=CC=C2)CC1)[N+]([O-])=O

IUPAC: 6-(4-benzylpiperidin-1-yl)-5-nitro-2-(pyrrolidin-1-yl)pyrimidin-4-amine

InChI: InChI=1S/C20H26N6O2/c21-18-17(26(27)28)19(23-20(22-18)25-10-4-5-11-25)24-12-8-16(9-13-24)14-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H2,21,22,23)

Composition: C (62.81%), H (6.85%), N (21.97%), O (8.37%)

Molar Mass: 382.468

Atom Count: 54

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	382.211724101
Formal Charge	0
FSP3	0.5
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	COGXVVBYARASBV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	112.1
Topological Polar Surface Area	101.42
Polarizability	40.31
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H26N6O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00