1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide

C10H13BrN4O2 — CID 136957331

IUPAC1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C10H13BrN4O2/c11-7-9(13-5-14-10(7)17)15-3-1-6(2-4-15)8(12)16/h5-6H,1-4H2,(H2,12,16)(H,13,14,17)
InChIKeyGUKXAUPBKRXIQR-UHFFFAOYSA-N
MW301.14 g/mol
LogP0.23
Rot. Bonds2

About 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide

1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 136957331) has the molecular formula C10H13BrN4O2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID136957331
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC Name1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C10H13BrN4O2/c11-7-9(13-5-14-10(7)17)15-3-1-6(2-4-15)8(12)16/h5-6H,1-4H2,(H2,12,16)(H,13,14,17)
InChIKeyGUKXAUPBKRXIQR-UHFFFAOYSA-N
XLogP0.23
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137015677
5-Bromo-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 66309551
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687959
5-bromo-4-(3-bromo-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749174
5-bromo-4-[4-(1-bromoethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772459
N-[[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792774
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794216
5-bromo-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805331
5-bromo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805339
5-bromo-4-[ethyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805347
5-bromo-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805367
5-bromo-4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136912697

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide (CID 136957331) is 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2nc[nH]c(=O)c2Br)CC1.
What is the InChIKey of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is GUKXAUPBKRXIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O2/c11-7-9(13-5-14-10(7)17)15-3-1-6(2-4-15)8(12)16/h5-6H,1-4H2,(H2,12,16)(H,13,14,17).
What are the key properties of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide?
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 301.14 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 136957331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).