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

C10H15BrN4O — CID 136972877

IUPAC4-[3-(aminomethyl)piperidin-1-yl]-5-bromo-1H-pyrimidin-6-one
SMILESNCC1CCCN(c2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C10H15BrN4O/c11-8-9(13-6-14-10(8)16)15-3-1-2-7(4-12)5-15/h6-7H,1-5,12H2,(H,13,14,16)
InChIKeyCMRDTYXIUSASEZ-UHFFFAOYSA-N
MW287.16 g/mol
LogP0.71
Rot. Bonds2

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

4-[3-(aminomethyl)piperidin-1-yl]-5-bromo-1H-pyrimidin-6-one (PubChem CID 136972877) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-[3-(aminomethyl)piperidin-1-yl]-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)piperidin-1-yl]-5-bromo-1H-pyrimidin-6-one
PubChem CID136972877
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name4-[3-(aminomethyl)piperidin-1-yl]-5-bromo-1H-pyrimidin-6-one
SMILESNCC1CCCN(c2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C10H15BrN4O/c11-8-9(13-6-14-10(8)16)15-3-1-2-7(4-12)5-15/h6-7H,1-5,12H2,(H,13,14,16)
InChIKeyCMRDTYXIUSASEZ-UHFFFAOYSA-N
XLogP0.71
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-[3-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136972878
5-bromo-4-[3-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977679
5-bromo-4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989739
5-bromo-4-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrimidin-6-one
CID 136979756
5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900947
5-bromo-4-(3,4-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136958113
5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136957820
5-bromo-4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136957879
4-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one
CID 136979032
5-bromo-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136868272
5-iodo-4-[3-(propylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137007988
5-bromo-4-(1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136958157

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)piperidin-1-yl]-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(aminomethyl)piperidin-1-yl]-5-bromo-1H-pyrimidin-6-one (CID 136972877) is 4-[3-(aminomethyl)piperidin-1-yl]-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(aminomethyl)piperidin-1-yl]-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(aminomethyl)piperidin-1-yl]-5-bromo-1H-pyrimidin-6-one is NCC1CCCN(c2nc[nH]c(=O)c2Br)C1.
What is the InChIKey of 4-[3-(aminomethyl)piperidin-1-yl]-5-bromo-1H-pyrimidin-6-one?
The InChIKey is CMRDTYXIUSASEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c11-8-9(13-6-14-10(8)16)15-3-1-2-7(4-12)5-15/h6-7H,1-5,12H2,(H,13,14,16).
What are the key properties of 4-[3-(aminomethyl)piperidin-1-yl]-5-bromo-1H-pyrimidin-6-one?
4-[3-(aminomethyl)piperidin-1-yl]-5-bromo-1H-pyrimidin-6-one has a molecular weight of 287.16 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)piperidin-1-yl]-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 136972877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).