ethyl 4-[3-(2-methylprop-2-enamido)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

ethyl 4-[3-(2-methylprop-2-enamido)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

CAS: 1443235-95-7

Formula: C19H18N4O3

SMILES: CCOC(=O)C1=CNC2=NC=NC(=C12)C1=CC=CC(NC(=O)C(C)=C)=C1

IUPAC: ethyl 4-[3-(2-methylprop-2-enamido)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

InChI: InChI=1S/C19H18N4O3/c1-4-26-19(25)14-9-20-17-15(14)16(21-10-22-17)12-6-5-7-13(8-12)23-18(24)11(2)3/h5-10H,2,4H2,1,3H3,(H,23,24)(H,20,21,22)

Composition: C (65.13%), H (5.18%), N (15.99%), O (13.70%)

Molar Mass: 350.378

Atom Count: 44

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	350.137890456
Formal Charge	0
FSP3	0.16
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	NJPHKVOXHRAPGJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.17
Topological Polar Surface Area	96.97
Polarizability	38.63
Ring Count	3
Rotatable Bond Count	6

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