N2-(4-ethoxyphenyl)-5-nitro-N4-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine

N2-(4-ethoxyphenyl)-5-nitro-N4-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine

Formula: C17H22N6O4

SMILES: CCOC1=CC=C(NC2=NC(N)=C(C(NCC3CCCO3)=N2)[N+]([O-])=O)C=C1

IUPAC: N2-(4-ethoxyphenyl)-5-nitro-N4-[(oxolan-2-yl)methyl]pyrimidine-2,4,6-triamine

InChI: InChI=1/C17H22N6O4/c1-2-26-12-7-5-11(6-8-12)20-17-21-15(18)14(23(24)25)16(22-17)19-10-13-4-3-9-27-13/h5-8,13H,2-4,9-10H2,1H3,(H4,18,19,20,21,22)

Composition: C (54.54%), H (5.92%), N (22.45%), O (17.09%)

Molar Mass: 374.401

Atom Count: 49

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	374.170253212
Formal Charge	0
FSP3	0.41
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
InChIKey	JDDJTSKADSLOJO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	102.46
Topological Polar Surface Area	137.46
Polarizability	37.03
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H22N6O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00