2-(4-benzylpiperazin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine

2-(4-benzylpiperazin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine

Formula: C20H23N7O3

SMILES: NC1=C(C(NCC2=CC=CO2)=NC(=N1)N1CCN(CC2=CC=CC=C2)CC1)[N+]([O-])=O

IUPAC: 2-(4-benzylpiperazin-1-yl)-N4-[(furan-2-yl)methyl]-5-nitropyrimidine-4,6-diamine

InChI: InChI=1S/C20H23N7O3/c21-18-17(27(28)29)19(22-13-16-7-4-12-30-16)24-20(23-18)26-10-8-25(9-11-26)14-15-5-2-1-3-6-15/h1-7,12H,8-11,13-14H2,(H3,21,22,23,24)

Composition: C (58.67%), H (5.66%), N (23.95%), O (11.72%)

Molar Mass: 409.45

Atom Count: 53

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	409.186237629
Formal Charge	0
FSP3	0.3
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	OOTGNSZYZSBPBO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.6
Topological Polar Surface Area	126.59
Polarizability	41.76
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H23N7O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00