2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide

C11H16BrN5O — CID 47279788

IUPAC2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C11H16BrN5O/c1-8(10(13)18)16-2-4-17(5-3-16)11-14-6-9(12)7-15-11/h6-8H,2-5H2,1H3,(H2,13,18)
InChIKeyHBGKZBPDILDFKJ-UHFFFAOYSA-N
MW314.19 g/mol
LogP0.23
Rot. Bonds3

About 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide

2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide (PubChem CID 47279788) has the molecular formula C11H16BrN5O and a molecular weight of 314.19 g/mol. Its IUPAC name is 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide
PubChem CID47279788
Molecular FormulaC11H16BrN5O
Molecular Weight314.19 g/mol
Exact Mass313.05
IUPAC Name2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C11H16BrN5O/c1-8(10(13)18)16-2-4-17(5-3-16)11-14-6-9(12)7-15-11/h6-8H,2-5H2,1H3,(H2,13,18)
InChIKeyHBGKZBPDILDFKJ-UHFFFAOYSA-N
XLogP0.23
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide (CID 47279788) is 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide is CC(C(N)=O)N1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide?
The InChIKey is HBGKZBPDILDFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN5O/c1-8(10(13)18)16-2-4-17(5-3-16)11-14-6-9(12)7-15-11/h6-8H,2-5H2,1H3,(H2,13,18).
What are the key properties of 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide?
2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide has a molecular weight of 314.19 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 47279788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).