4-(3-methoxyphenyl)-2-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine dihydrochloride

4-(3-methoxyphenyl)-2-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine dihydrochloride

CAS: 1431970-11-4

Formula: C16H19Cl2F3N4O

SMILES: Cl.Cl.COC1=CC=CC(=C1)C1=NC(=NC(=C1)C(F)(F)F)N1CCNCC1

IUPAC: 4-(3-methoxyphenyl)-2-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine dihydrochloride

InChI: InChI=1S/C16H17F3N4O.2ClH/c1-24-12-4-2-3-11(9-12)13-10-14(16(17,18)19)22-15(21-13)23-7-5-20-6-8-23;;/h2-4,9-10,20H,5-8H2,1H3;2*1H

Composition: C (46.73%), H (4.66%), Cl (17.24%), F (13.86%), N (13.62%), O (3.89%)

Molar Mass: 411.25

Atom Count: 45

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	410.0888011
Formal Charge	0
FSP3	0.37
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	SHXFWIVIXPVIET-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.68
Topological Polar Surface Area	50.28
Polarizability	32.31
Ring Count	3
Rotatable Bond Count	4

Suppliers

Crea-Chim UAB

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	1431970-11-4		$416.00$416.00