Name: Name:5-(4-phenoxyphenyl)-7-(1,4-dioxaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Brand: Angene
SKU: AG01DGJ7
Rating: 90 (10 reviews)

5-(4-phenoxyphenyl)-7-(1,4-dioxaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

CAS No.:

262441-40-7

Catalog Number:

AG01DGJ7

Molecular Formula:

C26H26N4O3

Molecular Weight:

442.5096

Catalog Number:

AG01DGJ7

Chemical Name:

5-(4-phenoxyphenyl)-7-(1,4-dioxaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

CAS Number:

262441-40-7

Molecular Formula:

C26H26N4O3

Molecular Weight:

442.5096

MDL Number:

MFCD31803865

IUPAC Name:

7-(1,4-dioxaspiro[4.5]decan-8-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

InChI:

InChI=1S/C26H26N4O3/c27-24-23-22(18-6-8-21(9-7-18)33-20-4-2-1-3-5-20)16-30(25(23)29-17-28-24)19-10-12-26(13-11-19)31-14-15-32-26/h1-9,16-17,19H,10-15H2,(H2,27,28,29)

InChI Key:

QODOIYQAHJZCLD-UHFFFAOYSA-N

SMILES:

Nc1ncnc2c1c(cn2C1CCC2(CC1)OCCO2)c1ccc(cc1)Oc1ccccc1

Complexity:

635

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

442.2g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

442.519g/mol

Monoisotopic Mass:

442.2g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1