5-bromo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one

C12H17BrN4O2 — CID 136957094

IUPAC5-bromo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1Br)C(=O)N1CCCCC1
InChIInChI=1S/C12H17BrN4O2/c1-8(12(19)17-5-3-2-4-6-17)16-10-9(13)11(18)15-7-14-10/h7-8H,2-6H2,1H3,(H2,14,15,16,18)
InChIKeyXLJDVLDKHONIGP-UHFFFAOYSA-N
MW329.20 g/mol
LogP1.35
Rot. Bonds3

About 5-bromo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one

5-bromo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136957094) has the molecular formula C12H17BrN4O2 and a molecular weight of 329.20 g/mol. Its IUPAC name is 5-bromo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136957094
Molecular FormulaC12H17BrN4O2
Molecular Weight329.20 g/mol
Exact Mass328.05
IUPAC Name5-bromo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1Br)C(=O)N1CCCCC1
InChIInChI=1S/C12H17BrN4O2/c1-8(12(19)17-5-3-2-4-6-17)16-10-9(13)11(18)15-7-14-10/h7-8H,2-6H2,1H3,(H2,14,15,16,18)
InChIKeyXLJDVLDKHONIGP-UHFFFAOYSA-N
XLogP1.35
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 66308710
5-Bromo-6-methyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 66308746
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
CID 66308759
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 66309827
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide
CID 114583411
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide
CID 114583654
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 114583656
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylpropanamide
CID 114583657
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 136713576
5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726429
5-bromo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778295
5-bromo-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780976

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one (CID 136957094) is 5-bromo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one is CC(Nc1nc[nH]c(=O)c1Br)C(=O)N1CCCCC1.
What is the InChIKey of 5-bromo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is XLJDVLDKHONIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O2/c1-8(12(19)17-5-3-2-4-6-17)16-10-9(13)11(18)15-7-14-10/h7-8H,2-6H2,1H3,(H2,14,15,16,18).
What are the key properties of 5-bromo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 329.20 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).