5-bromo-3-(2-piperazin-1-ylethyl)pyrimidin-4-one

C10H15BrN4O — CID 66309760

IUPAC5-bromo-3-(2-piperazin-1-ylethyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCN1CCNCC1
InChIInChI=1S/C10H15BrN4O/c11-9-7-13-8-15(10(9)16)6-5-14-3-1-12-2-4-14/h7-8,12H,1-6H2
InChIKeyMRGXSCGRBGWQQY-UHFFFAOYSA-N
MW287.16 g/mol
LogP-0.09
Rot. Bonds3

About 5-bromo-3-(2-piperazin-1-ylethyl)pyrimidin-4-one

5-bromo-3-(2-piperazin-1-ylethyl)pyrimidin-4-one (PubChem CID 66309760) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-3-(2-piperazin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(2-piperazin-1-ylethyl)pyrimidin-4-one
PubChem CID66309760
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name5-bromo-3-(2-piperazin-1-ylethyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCN1CCNCC1
InChIInChI=1S/C10H15BrN4O/c11-9-7-13-8-15(10(9)16)6-5-14-3-1-12-2-4-14/h7-8,12H,1-6H2
InChIKeyMRGXSCGRBGWQQY-UHFFFAOYSA-N
XLogP-0.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-piperazin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(2-piperazin-1-ylethyl)pyrimidin-4-one (CID 66309760) is 5-bromo-3-(2-piperazin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(2-piperazin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(2-piperazin-1-ylethyl)pyrimidin-4-one is O=c1c(Br)cncn1CCN1CCNCC1.
What is the InChIKey of 5-bromo-3-(2-piperazin-1-ylethyl)pyrimidin-4-one?
The InChIKey is MRGXSCGRBGWQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c11-9-7-13-8-15(10(9)16)6-5-14-3-1-12-2-4-14/h7-8,12H,1-6H2.
What are the key properties of 5-bromo-3-(2-piperazin-1-ylethyl)pyrimidin-4-one?
5-bromo-3-(2-piperazin-1-ylethyl)pyrimidin-4-one has a molecular weight of 287.16 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-piperazin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 66309760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).