1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide

C10H13BrN4O2 — CID 136971081

IUPAC1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H13BrN4O2/c11-7-9(13-5-14-10(7)17)15-4-2-1-3-6(15)8(12)16/h5-6H,1-4H2,(H2,12,16)(H,13,14,17)
InChIKeyYVUJCQBHBWKLKB-UHFFFAOYSA-N
MW301.14 g/mol
LogP0.38
Rot. Bonds2

About 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide

1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide (PubChem CID 136971081) 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-2-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide
PubChem CID136971081
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC Name1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H13BrN4O2/c11-7-9(13-5-14-10(7)17)15-4-2-1-3-6(15)8(12)16/h5-6H,1-4H2,(H2,12,16)(H,13,14,17)
InChIKeyYVUJCQBHBWKLKB-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805288
5-bromo-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805298
5-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805307
5-bromo-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805314
5-bromo-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805322
4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrimidin-6-one
CID 136873264
2-[4-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 136956223
5-bromo-4-[(1-ethylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956290
5-bromo-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956301
5-bromo-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 136956374
5-bromo-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956382
5-bromo-4-(1-piperidin-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one
CID 136956515

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide?
The IUPAC name of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide (CID 136971081) is 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide is NC(=O)C1CCCCN1c1nc[nH]c(=O)c1Br.
What is the InChIKey of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide?
The InChIKey is YVUJCQBHBWKLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O2/c11-7-9(13-5-14-10(7)17)15-4-2-1-3-6(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-2-carboxamide?
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide has a molecular weight of 301.14 g/mol, XLogP of 0.38, 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-2-carboxamide is sourced from PubChem (CID 136971081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).