Name: Name:7-Boc-2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
Brand: Angene
SKU: AG000PCV
Rating: 90 (10 reviews)

7-Boc-2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

CAS No.:

1196156-15-6

Catalog Number:

AG000PCV

Molecular Formula:

C12H16ClN3O2

Molecular Weight:

269.7273

Catalog Number:

AG000PCV

Chemical Name:

7-Boc-2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

CAS Number:

1196156-15-6

Molecular Formula:

C12H16ClN3O2

Molecular Weight:

269.7273

MDL Number:

MFCD13189593

IUPAC Name:

tert-butyl 2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate

InChI:

InChI=1S/C12H16ClN3O2/c1-12(2,3)18-11(17)16-5-4-8-6-14-10(13)15-9(8)7-16/h6H,4-5,7H2,1-3H3

InChI Key:

KIYPBPWOWVKRDG-UHFFFAOYSA-N

SMILES:

O=C(N1CCc2c(C1)nc(nc2)Cl)OC(C)(C)C

Complexity:

319

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.093g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

269.729g/mol

Monoisotopic Mass:

269.093g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9