N2-(2H-1,3-benzodioxol-5-ylmethyl)-N4-(4-fluorophenyl)pteridine-2,4-diamine

N2-(2H-1,3-benzodioxol-5-ylmethyl)-N4-(4-fluorophenyl)pteridine-2,4-diamine

Formula: C20H15FN6O2

SMILES: FC1=CC=C(NC2=NC(NCC3=CC=C4OCOC4=C3)=NC3=NC=CN=C23)C=C1

IUPAC: N2-[(2H-1,3-benzodioxol-5-yl)methyl]-N4-(4-fluorophenyl)pteridine-2,4-diamine

InChI: InChI=1S/C20H15FN6O2/c21-13-2-4-14(5-3-13)25-19-17-18(23-8-7-22-17)26-20(27-19)24-10-12-1-6-15-16(9-12)29-11-28-15/h1-9H,10-11H2,(H2,23,24,25,26,27)

Composition: C (61.54%), H (3.87%), F (4.87%), N (21.53%), O (8.20%)

Molar Mass: 390.378

Atom Count: 44

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	390.12405191
Formal Charge	0
FSP3	0.1
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	JVHHJWIMABZUDN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.22
Topological Polar Surface Area	94.08
Polarizability	39.06
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H15FN6O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00