N2-(3,4-dimethylphenyl)-N4-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine

N2-(3,4-dimethylphenyl)-N4-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine

Formula: C18H17FN6O2

SMILES: CC1=CC=C(NC2=NC(N)=C(C(NC3=CC(F)=CC=C3)=N2)[N+]([O-])=O)C=C1C

IUPAC: N2-(3,4-dimethylphenyl)-N4-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine

InChI: InChI=1S/C18H17FN6O2/c1-10-6-7-14(8-11(10)2)22-18-23-16(20)15(25(26)27)17(24-18)21-13-5-3-4-12(19)9-13/h3-9H,1-2H3,(H4,20,21,22,23,24)

Composition: C (58.69%), H (4.65%), F (5.16%), N (22.81%), O (8.69%)

Molar Mass: 368.372

Atom Count: 44

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	368.139701974
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	XPHPNJYPMAXXEA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	101.59
Topological Polar Surface Area	119
Polarizability	36.25
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H17FN6O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00