2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]piperidin-1-yl]acetamide

C11H15BrClN5O — CID 106193249

IUPAC2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2nc(Cl)ncc2Br)CC1
InChIInChI=1S/C11H15BrClN5O/c12-8-5-15-11(13)17-10(8)16-7-1-3-18(4-2-7)6-9(14)19/h5,7H,1-4,6H2,(H2,14,19)(H,15,16,17)
InChIKeyGBMNNJFLEUDMNJ-UHFFFAOYSA-N
MW348.63 g/mol
LogP1.25
Rot. Bonds4

About 2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]piperidin-1-yl]acetamide

2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]piperidin-1-yl]acetamide (PubChem CID 106193249) has the molecular formula C11H15BrClN5O and a molecular weight of 348.63 g/mol. Its IUPAC name is 2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]piperidin-1-yl]acetamide
PubChem CID106193249
Molecular FormulaC11H15BrClN5O
Molecular Weight348.63 g/mol
Exact Mass347.01
IUPAC Name2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2nc(Cl)ncc2Br)CC1
InChIInChI=1S/C11H15BrClN5O/c12-8-5-15-11(13)17-10(8)16-7-1-3-18(4-2-7)6-9(14)19/h5,7H,1-4,6H2,(H2,14,19)(H,15,16,17)
InChIKeyGBMNNJFLEUDMNJ-UHFFFAOYSA-N
XLogP1.25
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]piperidin-1-yl]acetamide (CID 106193249) is 2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(Nc2nc(Cl)ncc2Br)CC1.
What is the InChIKey of 2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is GBMNNJFLEUDMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN5O/c12-8-5-15-11(13)17-10(8)16-7-1-3-18(4-2-7)6-9(14)19/h5,7H,1-4,6H2,(H2,14,19)(H,15,16,17).
What are the key properties of 2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 348.63 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 106193249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).