5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

C8H10BrN3O — CID 66316571

IUPAC5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCCC2)ncc1Br
InChIInChI=1S/C8H10BrN3O/c9-6-5-10-8(11-7(6)13)12-3-1-2-4-12/h5H,1-4H2,(H,10,11,13)
InChIKeyKKEWVAFRIOVGNZ-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.13
Rot. Bonds1

About 5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 66316571) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is 5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID66316571
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCCC2)ncc1Br
InChIInChI=1S/C8H10BrN3O/c9-6-5-10-8(11-7(6)13)12-3-1-2-4-12/h5H,1-4H2,(H,10,11,13)
InChIKeyKKEWVAFRIOVGNZ-UHFFFAOYSA-N
XLogP1.13
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 66316571) is 5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is O=c1[nH]c(N2CCCC2)ncc1Br.
What is the InChIKey of 5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is KKEWVAFRIOVGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c9-6-5-10-8(11-7(6)13)12-3-1-2-4-12/h5H,1-4H2,(H,10,11,13).
What are the key properties of 5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 244.09 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 66316571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).