5-bromo-4-[3-(propylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C13H21BrN4O — CID 137007987

IUPAC5-bromo-4-[3-(propylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCCNCC1CCCN(c2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C13H21BrN4O/c1-2-5-15-7-10-4-3-6-18(8-10)12-11(14)13(19)17-9-16-12/h9-10,15H,2-8H2,1H3,(H,16,17,19)
InChIKeyIBDZSUYVNYRTTK-UHFFFAOYSA-N
MW329.24 g/mol
LogP1.75
Rot. Bonds5

About 5-bromo-4-[3-(propylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one

5-bromo-4-[3-(propylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137007987) has the molecular formula C13H21BrN4O and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-bromo-4-[3-(propylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[3-(propylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID137007987
Molecular FormulaC13H21BrN4O
Molecular Weight329.24 g/mol
Exact Mass328.09
IUPAC Name5-bromo-4-[3-(propylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCCNCC1CCCN(c2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C13H21BrN4O/c1-2-5-15-7-10-4-3-6-18(8-10)12-11(14)13(19)17-9-16-12/h9-10,15H,2-8H2,1H3,(H,16,17,19)
InChIKeyIBDZSUYVNYRTTK-UHFFFAOYSA-N
XLogP1.75
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957962
5-bromo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137015677
5-Bromo-6-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 66308118
5-Bromo-2-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 66309008
5-Bromo-6-methyl-3-(2-piperidin-3-ylethyl)pyrimidin-4-one
CID 66309814
5-Bromo-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 66309815
5-Bromo-3-(2-piperidin-3-ylethyl)pyrimidin-4-one
CID 66310398
5-Bromo-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 66310611
5-Bromo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
CID 105061178
5-Bromo-6-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
CID 113675699
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687959
5-bromo-4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701824

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[3-(propylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[3-(propylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 137007987) is 5-bromo-4-[3-(propylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[3-(propylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[3-(propylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one is CCCNCC1CCCN(c2nc[nH]c(=O)c2Br)C1.
What is the InChIKey of 5-bromo-4-[3-(propylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is IBDZSUYVNYRTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O/c1-2-5-15-7-10-4-3-6-18(8-10)12-11(14)13(19)17-9-16-12/h9-10,15H,2-8H2,1H3,(H,16,17,19).
What are the key properties of 5-bromo-4-[3-(propylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
5-bromo-4-[3-(propylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 329.24 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[3-(propylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137007987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).