5-bromo-4-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidin-6-one

C15H23BrN4O — CID 136729615

IUPAC5-bromo-4-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(C)C(c2nc(C3CCCC3)c(Br)c(=O)[nH]2)C1
InChIInChI=1S/C15H23BrN4O/c1-19-7-8-20(2)11(9-19)14-17-13(10-5-3-4-6-10)12(16)15(21)18-14/h10-11H,3-9H2,1-2H3,(H,17,18,21)
InChIKeyQFXIYGGDFQOICI-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.11
Rot. Bonds2

About 5-bromo-4-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidin-6-one

5-bromo-4-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidin-6-one (PubChem CID 136729615) has the molecular formula C15H23BrN4O and a molecular weight of 355.28 g/mol. Its IUPAC name is 5-bromo-4-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidin-6-one
PubChem CID136729615
Molecular FormulaC15H23BrN4O
Molecular Weight355.28 g/mol
Exact Mass354.11
IUPAC Name5-bromo-4-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(C)C(c2nc(C3CCCC3)c(Br)c(=O)[nH]2)C1
InChIInChI=1S/C15H23BrN4O/c1-19-7-8-20(2)11(9-19)14-17-13(10-5-3-4-6-10)12(16)15(21)18-14/h10-11H,3-9H2,1-2H3,(H,17,18,21)
InChIKeyQFXIYGGDFQOICI-UHFFFAOYSA-N
XLogP2.11
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidin-6-one (CID 136729615) is 5-bromo-4-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidin-6-one is CN1CCN(C)C(c2nc(C3CCCC3)c(Br)c(=O)[nH]2)C1.
What is the InChIKey of 5-bromo-4-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is QFXIYGGDFQOICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O/c1-19-7-8-20(2)11(9-19)14-17-13(10-5-3-4-6-10)12(16)15(21)18-14/h10-11H,3-9H2,1-2H3,(H,17,18,21).
What are the key properties of 5-bromo-4-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidin-6-one?
5-bromo-4-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 355.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136729615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).