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

C10H14BrN3O — CID 66310611

IUPAC5-bromo-3-(piperidin-3-ylmethyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CC1CCCNC1
InChIInChI=1S/C10H14BrN3O/c11-9-5-13-7-14(10(9)15)6-8-2-1-3-12-4-8/h5,7-8,12H,1-4,6H2
InChIKeyZDDGDQBGTUSVCC-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.01
Rot. Bonds2

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

5-bromo-3-(piperidin-3-ylmethyl)pyrimidin-4-one (PubChem CID 66310611) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-3-(piperidin-3-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(piperidin-3-ylmethyl)pyrimidin-4-one
PubChem CID66310611
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-3-(piperidin-3-ylmethyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CC1CCCNC1
InChIInChI=1S/C10H14BrN3O/c11-9-5-13-7-14(10(9)15)6-8-2-1-3-12-4-8/h5,7-8,12H,1-4,6H2
InChIKeyZDDGDQBGTUSVCC-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(piperidin-3-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(piperidin-3-ylmethyl)pyrimidin-4-one (CID 66310611) is 5-bromo-3-(piperidin-3-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(piperidin-3-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(piperidin-3-ylmethyl)pyrimidin-4-one is O=c1c(Br)cncn1CC1CCCNC1.
What is the InChIKey of 5-bromo-3-(piperidin-3-ylmethyl)pyrimidin-4-one?
The InChIKey is ZDDGDQBGTUSVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c11-9-5-13-7-14(10(9)15)6-8-2-1-3-12-4-8/h5,7-8,12H,1-4,6H2.
What are the key properties of 5-bromo-3-(piperidin-3-ylmethyl)pyrimidin-4-one?
5-bromo-3-(piperidin-3-ylmethyl)pyrimidin-4-one has a molecular weight of 272.15 g/mol, XLogP of 1.01, 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-3-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 66310611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).