4-{[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]amino}benzoic acid

4-{[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]amino}benzoic acid

Formula: C19H14F3N3O2

SMILES: CC1=C(C=CC=C1)C1=NC(NC2=CC=C(C=C2)C(O)=O)=NC(=C1)C(F)(F)F

IUPAC: 4-{[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]amino}benzoic acid

InChI: InChI=1S/C19H14F3N3O2/c1-11-4-2-3-5-14(11)15-10-16(19(20,21)22)25-18(24-15)23-13-8-6-12(7-9-13)17(26)27/h2-10H,1H3,(H,26,27)(H,23,24,25)

Composition: C (61.13%), H (3.78%), F (15.27%), N (11.26%), O (8.57%)

Molar Mass: 373.335

Atom Count: 41

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	373.103811192
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	TZRIZSNWPFWXJO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	93.82
Topological Polar Surface Area	75.11
Polarizability	35.32
Ring Count	3
Rotatable Bond Count	5

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<14 Days	C19H14F3N3O2		$827.82$827.82