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

C12H19BrN4O — CID 136989739

IUPAC5-bromo-4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCNCC1CCCN(c2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C12H19BrN4O/c1-2-14-6-9-4-3-5-17(7-9)11-10(13)12(18)16-8-15-11/h8-9,14H,2-7H2,1H3,(H,15,16,18)
InChIKeyOMXFQTQUZDRAQX-UHFFFAOYSA-N
MW315.22 g/mol
LogP1.36
Rot. Bonds4

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

5-bromo-4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136989739) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 5-bromo-4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136989739
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name5-bromo-4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCNCC1CCCN(c2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C12H19BrN4O/c1-2-14-6-9-4-3-5-17(7-9)11-10(13)12(18)16-8-15-11/h8-9,14H,2-7H2,1H3,(H,15,16,18)
InChIKeyOMXFQTQUZDRAQX-UHFFFAOYSA-N
XLogP1.36
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[3-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977679
4-[3-(ethylaminomethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 137007892
4-[3-(aminomethyl)piperidin-1-yl]-5-bromo-1H-pyrimidin-6-one
CID 136972877
5-iodo-4-[3-(propylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137007988
5-bromo-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136989741
4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989738
5-bromo-4-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrimidin-6-one
CID 136979756
5-chloro-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977969
5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900947
5-bromo-4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136957879
5-bromo-4-(3,4-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136958113
5-bromo-4-[2-(propylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136989732

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136989739) is 5-bromo-4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one is CCNCC1CCCN(c2nc[nH]c(=O)c2Br)C1.
What is the InChIKey of 5-bromo-4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is OMXFQTQUZDRAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-2-14-6-9-4-3-5-17(7-9)11-10(13)12(18)16-8-15-11/h8-9,14H,2-7H2,1H3,(H,15,16,18).
What are the key properties of 5-bromo-4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
5-bromo-4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 315.22 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136989739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).