N2-[(4-chlorophenyl)methyl]-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine

N2-[(4-chlorophenyl)methyl]-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine

Formula: C17H21ClN6O2

SMILES: CC1CCN(CC1)C1=NC(NCC2=CC=C(Cl)C=C2)=NC(N)=C1[N+]([O-])=O

IUPAC: N2-[(4-chlorophenyl)methyl]-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine

InChI: InChI=1S/C17H21ClN6O2/c1-11-6-8-23(9-7-11)16-14(24(25)26)15(19)21-17(22-16)20-10-12-2-4-13(18)5-3-12/h2-5,11H,6-10H2,1H3,(H3,19,20,21,22)

Composition: C (54.18%), H (5.62%), Cl (9.41%), N (22.30%), O (8.49%)

Molar Mass: 376.85

Atom Count: 47

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	376.1414516
Formal Charge	0
FSP3	0.41
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	XXDVGHBRXMNNHU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.05
Topological Polar Surface Area	110.21
Polarizability	37.5
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H21ClN6O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00