5-bromo-4-[4-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one

C11H17BrN4O — CID 136957499

IUPAC5-bromo-4-[4-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCN(C)C1CCN(c2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C11H17BrN4O/c1-15(2)8-3-5-16(6-4-8)10-9(12)11(17)14-7-13-10/h7-8H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyQPZAPECOLUTDPG-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.06
Rot. Bonds2

About 5-bromo-4-[4-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one

5-bromo-4-[4-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136957499) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-4-[4-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[4-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136957499
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-4-[4-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCN(C)C1CCN(c2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C11H17BrN4O/c1-15(2)8-3-5-16(6-4-8)10-9(12)11(17)14-7-13-10/h7-8H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyQPZAPECOLUTDPG-UHFFFAOYSA-N
XLogP1.06
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-6-methyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 66308960
5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135575726
4-amino-5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 136159812
5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726429
5-bromo-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136726436
5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752196
5-bromo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778295
5-bromo-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780976
5-bromo-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781010
N-[[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792774
5-bromo-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one
CID 136800368
5-bromo-4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805288

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[4-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[4-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136957499) is 5-bromo-4-[4-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[4-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[4-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one is CN(C)C1CCN(c2nc[nH]c(=O)c2Br)CC1.
What is the InChIKey of 5-bromo-4-[4-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is QPZAPECOLUTDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-15(2)8-3-5-16(6-4-8)10-9(12)11(17)14-7-13-10/h7-8H,3-6H2,1-2H3,(H,13,14,17).
What are the key properties of 5-bromo-4-[4-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one?
5-bromo-4-[4-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 301.19 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[4-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).