1-{5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}azepane

1-{5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}azepane

Formula: C14H19N3S

SMILES: CC1=C(C)C2=C(N=CN=C2S1)N1CCCCCC1

IUPAC: 1-{5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}azepane

InChI: InChI=1S/C14H19N3S/c1-10-11(2)18-14-12(10)13(15-9-16-14)17-7-5-3-4-6-8-17/h9H,3-8H2,1-2H3

Composition: C (64.33%), H (7.33%), N (16.08%), S (12.27%)

Molar Mass: 261.39

Atom Count: 37

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	261.129968798
Formal Charge	0
FSP3	0.57
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VPVRBNCIPDCORM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.6
Topological Polar Surface Area	29.02
Polarizability	29.03
Ring Count	3
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H19N3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00