5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one

C13H19BrN4O — CID 136957820

IUPAC5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCC(N3CCCCC3)C2)c1Br
InChIInChI=1S/C13H19BrN4O/c14-11-12(15-9-16-13(11)19)18-7-4-10(8-18)17-5-2-1-3-6-17/h9-10H,1-8H2,(H,15,16,19)
InChIKeyYARGWTAAUKAACZ-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.60
Rot. Bonds2

About 5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one

5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136957820) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is 5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136957820
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCC(N3CCCCC3)C2)c1Br
InChIInChI=1S/C13H19BrN4O/c14-11-12(15-9-16-13(11)19)18-7-4-10(8-18)17-5-2-1-3-6-17/h9-10H,1-8H2,(H,15,16,19)
InChIKeyYARGWTAAUKAACZ-UHFFFAOYSA-N
XLogP1.60
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136957820) is 5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCC(N3CCCCC3)C2)c1Br.
What is the InChIKey of 5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is YARGWTAAUKAACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c14-11-12(15-9-16-13(11)19)18-7-4-10(8-18)17-5-2-1-3-6-17/h9-10H,1-8H2,(H,15,16,19).
What are the key properties of 5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 327.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).