ethyl 4-(7H-purin-6-ylamino)benzoate

ethyl 4-(7H-purin-6-ylamino)benzoate

Formula: C14H13N5O2

SMILES: CCOC(=O)C1=CC=C(NC2=C3NC=NC3=NC=N2)C=C1

IUPAC: ethyl 4-[(7H-purin-6-yl)amino]benzoate

InChI: InChI=1S/C14H13N5O2/c1-2-21-14(20)9-3-5-10(6-4-9)19-13-11-12(16-7-15-11)17-8-18-13/h3-8H,2H2,1H3,(H2,15,16,17,18,19)

Composition: C (59.36%), H (4.63%), N (24.72%), O (11.30%)

Molar Mass: 283.291

Atom Count: 34

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	283.106924679
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	IFFPISAEZRPXHT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.78
Topological Polar Surface Area	92.79
Polarizability	29.21
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H13N5O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00