3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide

C11H16BrN5O — CID 47278275

IUPAC3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide
SMILESNC(=O)CCN1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C11H16BrN5O/c12-9-7-14-11(15-8-9)17-5-3-16(4-6-17)2-1-10(13)18/h7-8H,1-6H2,(H2,13,18)
InChIKeyICDMSMWSEJHGNK-UHFFFAOYSA-N
MW314.19 g/mol
LogP0.24
Rot. Bonds4

About 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide

3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide (PubChem CID 47278275) has the molecular formula C11H16BrN5O and a molecular weight of 314.19 g/mol. Its IUPAC name is 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide
PubChem CID47278275
Molecular FormulaC11H16BrN5O
Molecular Weight314.19 g/mol
Exact Mass313.05
IUPAC Name3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide
SMILESNC(=O)CCN1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C11H16BrN5O/c12-9-7-14-11(15-8-9)17-5-3-16(4-6-17)2-1-10(13)18/h7-8H,1-6H2,(H2,13,18)
InChIKeyICDMSMWSEJHGNK-UHFFFAOYSA-N
XLogP0.24
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide (CID 47278275) is 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide is NC(=O)CCN1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide?
The InChIKey is ICDMSMWSEJHGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN5O/c12-9-7-14-11(15-8-9)17-5-3-16(4-6-17)2-1-10(13)18/h7-8H,1-6H2,(H2,13,18).
What are the key properties of 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide?
3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide has a molecular weight of 314.19 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 47278275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).