5-bromo-4-(2,3-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one

C12H16BrN3O2 — CID 136558801

IUPAC5-bromo-4-(2,3-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCC1CCCN(C(=O)c2nc[nH]c(=O)c2Br)C1C
InChIInChI=1S/C12H16BrN3O2/c1-7-4-3-5-16(8(7)2)12(18)10-9(13)11(17)15-6-14-10/h6-8H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyHVWAGGORVIVNGA-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.79
Rot. Bonds1

About 5-bromo-4-(2,3-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one

5-bromo-4-(2,3-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 136558801) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-bromo-4-(2,3-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2,3-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID136558801
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name5-bromo-4-(2,3-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCC1CCCN(C(=O)c2nc[nH]c(=O)c2Br)C1C
InChIInChI=1S/C12H16BrN3O2/c1-7-4-3-5-16(8(7)2)12(18)10-9(13)11(17)15-6-14-10/h6-8H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyHVWAGGORVIVNGA-UHFFFAOYSA-N
XLogP1.79
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-4-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 166390904
5-Bromo-6-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 66308118
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 66308121
5-Bromo-3-[2-(cyclopentylmethylamino)ethyl]-6-methylpyrimidin-4-one
CID 66308362
5-Bromo-6-methyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 66308746
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
CID 66308759
5-Bromo-6-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-4-one
CID 66308774
5-Bromo-6-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one
CID 66308777
5-Bromo-6-methyl-3-[2-(4-methylpentylamino)ethyl]pyrimidin-4-one
CID 66308992
5-Bromo-3-[2-(cyclohexylmethylamino)ethyl]-6-methylpyrimidin-4-one
CID 66309209
5-Bromo-6-methyl-3-(2-piperidin-3-ylethyl)pyrimidin-4-one
CID 66309814
5-Bromo-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 66309815

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,3-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2,3-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one (CID 136558801) is 5-bromo-4-(2,3-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2,3-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2,3-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one is CC1CCCN(C(=O)c2nc[nH]c(=O)c2Br)C1C.
What is the InChIKey of 5-bromo-4-(2,3-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is HVWAGGORVIVNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-7-4-3-5-16(8(7)2)12(18)10-9(13)11(17)15-6-14-10/h6-8H,3-5H2,1-2H3,(H,14,15,17).
What are the key properties of 5-bromo-4-(2,3-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
5-bromo-4-(2,3-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 314.18 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,3-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136558801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).