N2-(4-methoxyphenyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine

N2-(4-methoxyphenyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine

Formula: C17H22N6O3

SMILES: COC1=CC=C(NC2=NC(N)=C(C(=N2)N2CCCC(C)C2)[N+]([O-])=O)C=C1

IUPAC: N2-(4-methoxyphenyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine

InChI: InChI=1/C17H22N6O3/c1-11-4-3-9-22(10-11)16-14(23(24)25)15(18)20-17(21-16)19-12-5-7-13(26-2)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H3,18,19,20,21)

Composition: C (56.97%), H (6.19%), N (23.45%), O (13.39%)

Molar Mass: 358.402

Atom Count: 48

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	358.175338592
Formal Charge	0
FSP3	0.41
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	FKQQMFUHQWFTST-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.31
Topological Polar Surface Area	119.44
Polarizability	36.3
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H22N6O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00