ethyl 4-{[(3-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate

ethyl 4-{[(3-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate

Formula: C16H19N3O3S

SMILES: CCOC(=O)C1=CN=C(SC)N=C1NCC1=CC=CC(OC)=C1

IUPAC: ethyl 4-{[(3-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate

InChI: InChI=1S/C16H19N3O3S/c1-4-22-15(20)13-10-18-16(23-3)19-14(13)17-9-11-6-5-7-12(8-11)21-2/h5-8,10H,4,9H2,1-3H3,(H,17,18,19)

Composition: C (57.64%), H (5.74%), N (12.60%), O (14.40%), S (9.62%)

Molar Mass: 333.41

Atom Count: 42

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	333.114712658
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	BDUOHOYRCYWPSP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.78
Topological Polar Surface Area	73.34
Polarizability	34.83
Ring Count	2
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H19N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00