ethyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate

ethyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate

CAS: 149771-09-5

Formula: C8H8F3N3O2

SMILES: CCOC(=O)C1=C(N=C(N)N=C1)C(F)(F)F

IUPAC: ethyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate

InChI: InChI=1S/C8H8F3N3O2/c1-2-16-6(15)4-3-13-7(12)14-5(4)8(9,10)11/h3H,2H2,1H3,(H2,12,13,14)

Composition: C (40.86%), H (3.43%), F (24.24%), N (17.87%), O (13.61%)

Molar Mass: 235.166

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	235.056860999
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OUACXMUEZBQRBJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.74
Topological Polar Surface Area	78.1
Polarizability	17.47
Ring Count	1
Rotatable Bond Count	4

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95%	<4 Days	149771-09-5		$58.65-$232.30$58.65$232.30