2-{2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamido}benzamide

2-{2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamido}benzamide

Formula: C13H14N6O2S

SMILES: NC(=O)C1=CC=CC=C1NC(=O)CSC1=NC(N)=CC(N)=N1

IUPAC: 2-{2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamido}benzamide

InChI: InChI=1S/C13H14N6O2S/c14-9-5-10(15)19-13(18-9)22-6-11(20)17-8-4-2-1-3-7(8)12(16)21/h1-5H,6H2,(H2,16,21)(H,17,20)(H4,14,15,18,19)

Composition: C (49.05%), H (4.43%), N (26.40%), O (10.05%), S (10.07%)

Molar Mass: 318.36

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	318.089894889
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
InChIKey	QEJVEGOHVJSCJJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.04
Topological Polar Surface Area	150.01
Polarizability	31.27
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H14N6O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00