5-bromo-4-(3,4-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one

C11H16BrN3O — CID 136958113

IUPAC5-bromo-4-(3,4-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CCN(c2nc[nH]c(=O)c2Br)CC1C
InChIInChI=1S/C11H16BrN3O/c1-7-3-4-15(5-8(7)2)10-9(12)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyRNPOMUBLJGOCHZ-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.01
Rot. Bonds1

About 5-bromo-4-(3,4-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one

5-bromo-4-(3,4-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136958113) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-4-(3,4-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(3,4-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136958113
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-4-(3,4-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CCN(c2nc[nH]c(=O)c2Br)CC1C
InChIInChI=1S/C11H16BrN3O/c1-7-3-4-15(5-8(7)2)10-9(12)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyRNPOMUBLJGOCHZ-UHFFFAOYSA-N
XLogP2.01
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900947
5-bromo-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136868272
5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136957820
4-(3-amino-4-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136978258
5-bromo-4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957573
5-bromo-4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136957879
4-[3-(aminomethyl)piperidin-1-yl]-5-bromo-1H-pyrimidin-6-one
CID 136972877
5-bromo-4-[3-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977679
5-bromo-4-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrimidin-6-one
CID 136979756
4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136978257
5-bromo-4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989739
5-bromo-4-(4-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136958031

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3,4-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(3,4-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136958113) is 5-bromo-4-(3,4-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(3,4-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(3,4-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one is CC1CCN(c2nc[nH]c(=O)c2Br)CC1C.
What is the InChIKey of 5-bromo-4-(3,4-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is RNPOMUBLJGOCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-7-3-4-15(5-8(7)2)10-9(12)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,13,14,16).
What are the key properties of 5-bromo-4-(3,4-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one?
5-bromo-4-(3,4-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 286.17 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3,4-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136958113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).