Name: Name:4-chloro-5-iodo-7-(1,4-dioxaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidine
Brand: Angene
SKU: AG01DGDF
Rating: 90 (10 reviews)

4-chloro-5-iodo-7-(1,4-dioxaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidine

CAS No.:

262444-48-4

Catalog Number:

AG01DGDF

Molecular Formula:

C14H15ClIN3O2

Molecular Weight:

419.6453

Catalog Number:

AG01DGDF

Chemical Name:

4-chloro-5-iodo-7-(1,4-dioxaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidine

CAS Number:

262444-48-4

Molecular Formula:

C14H15ClIN3O2

Molecular Weight:

419.6453

MDL Number:

MFCD23099145

IUPAC Name:

4-chloro-7-(1,4-dioxaspiro[4.5]decan-8-yl)-5-iodopyrrolo[2,3-d]pyrimidine

InChI:

InChI=1S/C14H15ClIN3O2/c15-12-11-10(16)7-19(13(11)18-8-17-12)9-1-3-14(4-2-9)20-5-6-21-14/h7-9H,1-6H2

InChI Key:

IJQRMNNJDXVVMM-UHFFFAOYSA-N

SMILES:

Ic1cn(c2c1c(Cl)ncn2)C1CCC2(CC1)OCCO2

Complexity:

386

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

418.99g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

419.647g/mol

Monoisotopic Mass:

418.99g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9