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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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).