5-bromo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one

C9H11BrN4O2 — CID 136956539

IUPAC5-bromo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESO=C1NCCCC1Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H11BrN4O2/c10-6-7(12-4-13-9(6)16)14-5-2-1-3-11-8(5)15/h4-5H,1-3H2,(H,11,15)(H2,12,13,14,16)
InChIKeyFTHGJJMOWQOLET-UHFFFAOYSA-N
MW287.12 g/mol
LogP0.22
Rot. Bonds2

About 5-bromo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one

5-bromo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136956539) has the molecular formula C9H11BrN4O2 and a molecular weight of 287.12 g/mol. Its IUPAC name is 5-bromo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136956539
Molecular FormulaC9H11BrN4O2
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name5-bromo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESO=C1NCCCC1Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H11BrN4O2/c10-6-7(12-4-13-9(6)16)14-5-2-1-3-11-8(5)15/h4-5H,1-3H2,(H,11,15)(H2,12,13,14,16)
InChIKeyFTHGJJMOWQOLET-UHFFFAOYSA-N
XLogP0.22
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 136713576
4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrimidin-6-one
CID 136873264
2-[4-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 136956223
5-bromo-4-[(1-ethylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956290
5-bromo-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956301
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide
CID 136956505
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethylpropanamide
CID 136956513
5-bromo-4-(1-piperidin-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one
CID 136956515
5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956537
4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956540
5-iodo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956637
5-bromo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956639

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136956539) is 5-bromo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is O=C1NCCCC1Nc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is FTHGJJMOWQOLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O2/c10-6-7(12-4-13-9(6)16)14-5-2-1-3-11-8(5)15/h4-5H,1-3H2,(H,11,15)(H2,12,13,14,16).
What are the key properties of 5-bromo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 287.12 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).