5-bromo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one

C11H15BrN4O2 — CID 136957097

IUPAC5-bromo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
SMILESO=C(CNc1nc[nH]c(=O)c1Br)N1CCCCC1
InChIInChI=1S/C11H15BrN4O2/c12-9-10(14-7-15-11(9)18)13-6-8(17)16-4-2-1-3-5-16/h7H,1-6H2,(H2,13,14,15,18)
InChIKeyZPGHGDGUBFTDFF-UHFFFAOYSA-N
MW315.17 g/mol
LogP0.96
Rot. Bonds3

About 5-bromo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957097) has the molecular formula C11H15BrN4O2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-bromo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
PubChem CID136957097
Molecular FormulaC11H15BrN4O2
Molecular Weight315.17 g/mol
Exact Mass314.04
IUPAC Name5-bromo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
SMILESO=C(CNc1nc[nH]c(=O)c1Br)N1CCCCC1
InChIInChI=1S/C11H15BrN4O2/c12-9-10(14-7-15-11(9)18)13-6-8(17)16-4-2-1-3-5-16/h7H,1-6H2,(H2,13,14,15,18)
InChIKeyZPGHGDGUBFTDFF-UHFFFAOYSA-N
XLogP0.96
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Bromo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66308505
5-Bromo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
CID 66309553
5-Bromo-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114583381
5-amino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135786489
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
CID 136713545
5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726429
N-[[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792774
5-bromo-4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805288
5-bromo-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805298
5-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805307
5-bromo-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805314
5-bromo-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805322

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one (CID 136957097) is 5-bromo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one is O=C(CNc1nc[nH]c(=O)c1Br)N1CCCCC1.
What is the InChIKey of 5-bromo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is ZPGHGDGUBFTDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2/c12-9-10(14-7-15-11(9)18)13-6-8(17)16-4-2-1-3-5-16/h7H,1-6H2,(H2,13,14,15,18).
What are the key properties of 5-bromo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 315.17 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).