ethyl 4-amino-2-{[(cyclopropylcarbamoyl)methyl]sulfanyl}pyrimidine-5-carboxylate

ethyl 4-amino-2-{[(cyclopropylcarbamoyl)methyl]sulfanyl}pyrimidine-5-carboxylate

Formula: C12H16N4O3S

SMILES: CCOC(=O)C1=CN=C(SCC(=O)NC2CC2)N=C1N

IUPAC: ethyl 4-amino-2-{[(cyclopropylcarbamoyl)methyl]sulfanyl}pyrimidine-5-carboxylate

InChI: InChI=1S/C12H16N4O3S/c1-2-19-11(18)8-5-14-12(16-10(8)13)20-6-9(17)15-7-3-4-7/h5,7H,2-4,6H2,1H3,(H,15,17)(H2,13,14,16)

Composition: C (48.64%), H (5.44%), N (18.91%), O (16.20%), S (10.82%)

Molar Mass: 296.35

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	296.094311565
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	WNWMRUJGAIDODI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.38
Topological Polar Surface Area	107.2
Polarizability	28.8
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H16N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00