3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one

C9H11BrN4O — CID 63873802

IUPAC3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1ncc(Br)cn1
InChIInChI=1S/C9H11BrN4O/c10-6-4-12-9(13-5-6)14-7-2-1-3-11-8(7)15/h4-5,7H,1-3H2,(H,11,15)(H,12,13,14)
InChIKeyJOWDWSSPSLKBCU-UHFFFAOYSA-N
MW271.12 g/mol
LogP0.93
Rot. Bonds2

About 3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one

3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one (PubChem CID 63873802) has the molecular formula C9H11BrN4O and a molecular weight of 271.12 g/mol. Its IUPAC name is 3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one
PubChem CID63873802
Molecular FormulaC9H11BrN4O
Molecular Weight271.12 g/mol
Exact Mass270.01
IUPAC Name3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1ncc(Br)cn1
InChIInChI=1S/C9H11BrN4O/c10-6-4-12-9(13-5-6)14-7-2-1-3-11-8(7)15/h4-5,7H,1-3H2,(H,11,15)(H,12,13,14)
InChIKeyJOWDWSSPSLKBCU-UHFFFAOYSA-N
XLogP0.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one
CID 114600542
(3S)-3-(pyrimidin-2-ylamino)azepan-2-one
CID 40506869
3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one
CID 103582487
(3R)-3-[[5-(2-fluoro-3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-2-one
CID 90313369
3-(pyrimidin-4-ylamino)piperidin-2-one
CID 62093434
(3S)-3-[(4-phenyl-1,3,5-triazin-2-yl)amino]piperidin-2-one
CID 167750402
3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one
CID 62341701
3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one
CID 80908631
5-bromo-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 62094279
3-[5-bromo-2-(trifluoromethyl)anilino]piperidin-2-one
CID 107286185
(3R)-3-[(3,6-dimethylpyrazin-2-yl)amino]azepan-2-one
CID 26458748
5-bromo-2-chloro-N-(2-oxoazepan-3-yl)pyridine-3-sulfonamide
CID 61060873

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one (CID 63873802) is 3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one is O=C1NCCCC1Nc1ncc(Br)cn1.
What is the InChIKey of 3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one?
The InChIKey is JOWDWSSPSLKBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O/c10-6-4-12-9(13-5-6)14-7-2-1-3-11-8(7)15/h4-5,7H,1-3H2,(H,11,15)(H,12,13,14).
What are the key properties of 3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one?
3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one has a molecular weight of 271.12 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one is sourced from PubChem (CID 63873802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).