4-amino-2-{[3-(4-chlorophenoxy)propyl]sulfanyl}pyrimidine-5-carbonitrile

4-amino-2-{[3-(4-chlorophenoxy)propyl]sulfanyl}pyrimidine-5-carbonitrile

Formula: C14H13ClN4OS

SMILES: NC1=NC(SCCCOC2=CC=C(Cl)C=C2)=NC=C1C#N

IUPAC: 4-amino-2-{[3-(4-chlorophenoxy)propyl]sulfanyl}pyrimidine-5-carbonitrile

InChI: InChI=1S/C14H13ClN4OS/c15-11-2-4-12(5-3-11)20-6-1-7-21-14-18-9-10(8-16)13(17)19-14/h2-5,9H,1,6-7H2,(H2,17,18,19)

Composition: C (52.42%), H (4.08%), Cl (11.05%), N (17.47%), O (4.99%), S (9.99%)

Molar Mass: 320.8

Atom Count: 34

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	320.0498599
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	RLGOGFGKDFFYBN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.43
Topological Polar Surface Area	84.82
Polarizability	32.27
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H13ClN4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00