N2-(4-chlorophenyl)-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine

N2-(4-chlorophenyl)-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine

Formula: C17H15ClN6O3

SMILES: COC1=CC=C(NC2=NC(NC3=CC=C(Cl)C=C3)=NC(N)=C2[N+]([O-])=O)C=C1

IUPAC: N2-(4-chlorophenyl)-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine

InChI: InChI=1S/C17H15ClN6O3/c1-27-13-8-6-11(7-9-13)20-16-14(24(25)26)15(19)22-17(23-16)21-12-4-2-10(18)3-5-12/h2-9H,1H3,(H4,19,20,21,22,23)

Composition: C (52.79%), H (3.91%), Cl (9.17%), N (21.73%), O (12.41%)

Molar Mass: 386.8

Atom Count: 42

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	386.0894161
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
InChIKey	VICNWHCXQRHEIR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	102.56
Topological Polar Surface Area	128.23
Polarizability	37.46
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H15ClN6O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00