5-bromo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one

C10H13BrN4O2 — CID 136956746

IUPAC5-bromo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CC(Nc2nc[nH]c(=O)c2Br)CCC1=O
InChIInChI=1S/C10H13BrN4O2/c1-15-4-6(2-3-7(15)16)14-9-8(11)10(17)13-5-12-9/h5-6H,2-4H2,1H3,(H2,12,13,14,17)
InChIKeyHOQQMBONLZGFFR-UHFFFAOYSA-N
MW301.14 g/mol
LogP0.57
Rot. Bonds2

About 5-bromo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one

5-bromo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136956746) has the molecular formula C10H13BrN4O2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 5-bromo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136956746
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC Name5-bromo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CC(Nc2nc[nH]c(=O)c2Br)CCC1=O
InChIInChI=1S/C10H13BrN4O2/c1-15-4-6(2-3-7(15)16)14-9-8(11)10(17)13-5-12-9/h5-6H,2-4H2,1H3,(H2,12,13,14,17)
InChIKeyHOQQMBONLZGFFR-UHFFFAOYSA-N
XLogP0.57
TPSA78.09 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 ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687959
5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726429
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-[(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136956058
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136956746) is 5-bromo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is CN1CC(Nc2nc[nH]c(=O)c2Br)CCC1=O.
What is the InChIKey of 5-bromo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is HOQQMBONLZGFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O2/c1-15-4-6(2-3-7(15)16)14-9-8(11)10(17)13-5-12-9/h5-6H,2-4H2,1H3,(H2,12,13,14,17).
What are the key properties of 5-bromo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 301.14 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).