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

C11H15BrN4O2 — CID 136971084

IUPAC1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H15BrN4O2/c1-13-10(17)7-4-2-3-5-16(7)9-8(12)11(18)15-6-14-9/h6-7H,2-5H2,1H3,(H,13,17)(H,14,15,18)
InChIKeyDBQFWHGTLPFYLP-UHFFFAOYSA-N
MW315.17 g/mol
LogP0.64
Rot. Bonds2

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

1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide (PubChem CID 136971084) has the molecular formula C11H15BrN4O2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
PubChem CID136971084
Molecular FormulaC11H15BrN4O2
Molecular Weight315.17 g/mol
Exact Mass314.04
IUPAC Name1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H15BrN4O2/c1-13-10(17)7-4-2-3-5-16(7)9-8(12)11(18)15-6-14-9/h6-7H,2-5H2,1H3,(H,13,17)(H,14,15,18)
InChIKeyDBQFWHGTLPFYLP-UHFFFAOYSA-N
XLogP0.64
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 136713576
5-bromo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778295
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
5-bromo-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136842972
4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrimidin-6-one
CID 136873264
5-bromo-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136879308
5-bromo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one
CID 136955967
5-bromo-4-[(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136956058

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide (CID 136971084) is 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1nc[nH]c(=O)c1Br.
What is the InChIKey of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
The InChIKey is DBQFWHGTLPFYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2/c1-13-10(17)7-4-2-3-5-16(7)9-8(12)11(18)15-6-14-9/h6-7H,2-5H2,1H3,(H,13,17)(H,14,15,18).
What are the key properties of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide has a molecular weight of 315.17 g/mol, XLogP of 0.64, 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)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 136971084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).