3,7-Dihydro-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4H-pyrrolo[2,3-d]pyrimidin-4-one - CAS 1142945-82-1

Catalog:	BB067713
Product Name:	3,7-Dihydro-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4H-pyrrolo[2,3-d]pyrimidin-4-one
CAS:	1142945-82-1
Synonyms:	2-((4-(2-(Pyrrolidin-1-yl)ethoxy)phenyl)amino)-1H-pyrrolo[2,3-d]pyrimidin-4(7H)-one

Technical Data

IUPAC Name:	2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Description:	3,7-Dihydro-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4H-pyrrolo[2,3-d]pyrimidin-4-one is a reactant used in the preparation of pyrrolopyrimidine compounds as janus kinase inhibitors with potential uses in the treatment of cancer.
Molecular Weight:	339.39
Molecular Formula:	C18H21N5O2
Canonical SMILES:	C1CCN(C1)CCOC2=CC=C(C=C2)NC3=NC4=C(C=CN4)C(=O)N3
InChI:	InChI=1S/C18H21N5O2/c24-17-15-7-8-19-16(15)21-18(22-17)20-13-3-5-14(6-4-13)25-12-11-23-9-1-2-10-23/h3-8H,1-2,9-12H2,(H3,19,20,21,22,24)
InChI Key:	PXEKHWMLUBGCJX-UHFFFAOYSA-N
References:	Noronha, G., et. al. PCT Int. Appl. WO 2009049028 A1 20090416 (2009).

Complexity:	498
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	339.16952493
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	339.16952493
Rotatable Bond Count:	6
Topological Polar Surface Area:	81.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7