Name: Name:tert-butyl 4-{[(4-aminopyrimidin-2-yl)methyl]amino}azepane-1-carboxylate
Brand: Angene
SKU: AG01AGFM
Rating: 90 (10 reviews)

tert-butyl 4-{[(4-aminopyrimidin-2-yl)methyl]amino}azepane-1-carboxylate

CAS No.:

1803611-78-0

Catalog Number:

AG01AGFM

Molecular Formula:

C16H27N5O2

Molecular Weight:

321.4179

Catalog Number:

AG01AGFM

Chemical Name:

tert-butyl 4-{[(4-aminopyrimidin-2-yl)methyl]amino}azepane-1-carboxylate

CAS Number:

1803611-78-0

Molecular Formula:

C16H27N5O2

Molecular Weight:

321.4179

MDL Number:

MFCD28023722

IUPAC Name:

tert-butyl 4-[(4-aminopyrimidin-2-yl)methylamino]azepane-1-carboxylate

InChI:

InChI=1S/C16H27N5O2/c1-16(2,3)23-15(22)21-9-4-5-12(7-10-21)19-11-14-18-8-6-13(17)20-14/h6,8,12,19H,4-5,7,9-11H2,1-3H3,(H2,17,18,20)

InChI Key:

DAVHNLSMJHLSFP-UHFFFAOYSA-N

SMILES:

Nc1ccnc(n1)CNC1CCCN(CC1)C(=O)OC(C)(C)C

Complexity:

385

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

321.216g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

321.425g/mol

Monoisotopic Mass:

321.216g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1