5-bromo-3-(piperidin-2-ylmethyl)pyrimidin-4-one

C10H14BrN3O — CID 66309968

IUPAC5-bromo-3-(piperidin-2-ylmethyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CC1CCCCN1
InChIInChI=1S/C10H14BrN3O/c11-9-5-12-7-14(10(9)15)6-8-3-1-2-4-13-8/h5,7-8,13H,1-4,6H2
InChIKeyFXFRNXPRWMFLCW-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.15
Rot. Bonds2

About 5-bromo-3-(piperidin-2-ylmethyl)pyrimidin-4-one

5-bromo-3-(piperidin-2-ylmethyl)pyrimidin-4-one (PubChem CID 66309968) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-3-(piperidin-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(piperidin-2-ylmethyl)pyrimidin-4-one
PubChem CID66309968
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-3-(piperidin-2-ylmethyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CC1CCCCN1
InChIInChI=1S/C10H14BrN3O/c11-9-5-12-7-14(10(9)15)6-8-3-1-2-4-13-8/h5,7-8,13H,1-4,6H2
InChIKeyFXFRNXPRWMFLCW-UHFFFAOYSA-N
XLogP1.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Piperidin-2-ylmethyl)pyrimidin-4-one
CID 63769529
2-(5-bromo-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
CID 66308074
5-Bromo-3-[2-(hexylamino)ethyl]pyrimidin-4-one
CID 66308103
5-Bromo-3-[3-(cyclohexylamino)propyl]pyrimidin-4-one
CID 66308105
2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 66308294
5-Bromo-3-[2-(pentylamino)ethyl]pyrimidin-4-one
CID 66308312
5-Bromo-3-[4-(propan-2-ylamino)butyl]pyrimidin-4-one
CID 66308520
5-Bromo-2-methyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 66308578
5-Bromo-2-methyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 66308579
2-(5-bromo-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 66308710
5-Bromo-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one
CID 66308730
5-Bromo-6-methyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 66308746

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(piperidin-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(piperidin-2-ylmethyl)pyrimidin-4-one (CID 66309968) is 5-bromo-3-(piperidin-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(piperidin-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(piperidin-2-ylmethyl)pyrimidin-4-one is O=c1c(Br)cncn1CC1CCCCN1.
What is the InChIKey of 5-bromo-3-(piperidin-2-ylmethyl)pyrimidin-4-one?
The InChIKey is FXFRNXPRWMFLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c11-9-5-12-7-14(10(9)15)6-8-3-1-2-4-13-8/h5,7-8,13H,1-4,6H2.
What are the key properties of 5-bromo-3-(piperidin-2-ylmethyl)pyrimidin-4-one?
5-bromo-3-(piperidin-2-ylmethyl)pyrimidin-4-one has a molecular weight of 272.15 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(piperidin-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 66309968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).