5-nitro-N2,N4-diphenylpyrimidine-2,4,6-triamine

5-nitro-N2,N4-diphenylpyrimidine-2,4,6-triamine

Formula: C16H14N6O2

SMILES: NC1=NC(NC2=CC=CC=C2)=NC(NC2=CC=CC=C2)=C1[N+]([O-])=O

IUPAC: 5-nitro-N2,N4-diphenylpyrimidine-2,4,6-triamine

InChI: InChI=1S/C16H14N6O2/c17-14-13(22(23)24)15(18-11-7-3-1-4-8-11)21-16(20-14)19-12-9-5-2-6-10-12/h1-10H,(H4,17,18,19,20,21)

Composition: C (59.62%), H (4.38%), N (26.07%), O (9.93%)

Molar Mass: 322.328

Atom Count: 38

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	322.117823715
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	LEJUOEVKQFBVRQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	91.29
Topological Polar Surface Area	119
Polarizability	33.02
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H14N6O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00