2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(naphthalen-1-yl)butanamide

2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(naphthalen-1-yl)butanamide

Formula: C18H19N5OS

SMILES: CCC(SC1=NC(N)=CC(N)=N1)C(=O)NC1=CC=CC2=CC=CC=C12

IUPAC: 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(naphthalen-1-yl)butanamide

InChI: InChI=1/C18H19N5OS/c1-2-14(25-18-22-15(19)10-16(20)23-18)17(24)21-13-9-5-7-11-6-3-4-8-12(11)13/h3-10,14H,2H2,1H3,(H,21,24)(H4,19,20,22,23)

Composition: C (61.17%), H (5.42%), N (19.82%), O (4.53%), S (9.07%)

Molar Mass: 353.44

Atom Count: 44

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	353.131031426
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	CYHGOLSIVYTLHN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.43
Topological Polar Surface Area	106.92
Polarizability	39.56
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H19N5OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00