Name: Name:2-bromo-3-methyl-1-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-one
Brand: Angene
SKU: AG019KZJ
Rating: 90 (10 reviews)

2-bromo-3-methyl-1-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-one

CAS No.:

1016864-65-5

Catalog Number:

AG019KZJ

Molecular Formula:

C13H19BrN4O

Molecular Weight:

327.2202

Catalog Number:

AG019KZJ

Chemical Name:

2-bromo-3-methyl-1-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-one

CAS Number:

1016864-65-5

Molecular Formula:

C13H19BrN4O

Molecular Weight:

327.2202

MDL Number:

MFCD09949321

IUPAC Name:

2-bromo-3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one

InChI:

InChI=1S/C13H19BrN4O/c1-10(2)11(14)12(19)17-6-8-18(9-7-17)13-15-4-3-5-16-13/h3-5,10-11H,6-9H2,1-2H3

InChI Key:

FQUDYUTYTPKOFP-UHFFFAOYSA-N

SMILES:

BrC(C(=O)N1CCN(CC1)c1ncccn1)C(C)C

Complexity:

299

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

326.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

327.226g/mol

Monoisotopic Mass:

326.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1