5-bromo-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

C8H10BrN3O2 — CID 66286967

IUPAC5-bromo-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCCC2)nc(O)c1Br
InChIInChI=1S/C8H10BrN3O2/c9-5-6(13)10-8(11-7(5)14)12-3-1-2-4-12/h1-4H2,(H2,10,11,13,14)
InChIKeyIAXMIYSAWSASIQ-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.84
Rot. Bonds1

About 5-bromo-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

5-bromo-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 66286967) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID66286967
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name5-bromo-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCCC2)nc(O)c1Br
InChIInChI=1S/C8H10BrN3O2/c9-5-6(13)10-8(11-7(5)14)12-3-1-2-4-12/h1-4H2,(H2,10,11,13,14)
InChIKeyIAXMIYSAWSASIQ-UHFFFAOYSA-N
XLogP0.84
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 30033457
4-hydroxy-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 63613107
5-bromo-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 66284955
4-hydroxy-5-iodo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 66286180
5-bromo-2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 66286963
2-(azepan-1-yl)-5-bromo-4-hydroxy-1H-pyrimidin-6-one
CID 66286966
5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 66316571
5-bromo-4-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136256362
4-amino-5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136261116
5-bromo-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136957358

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 66286967) is 5-bromo-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is O=c1[nH]c(N2CCCC2)nc(O)c1Br.
What is the InChIKey of 5-bromo-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is IAXMIYSAWSASIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c9-5-6(13)10-8(11-7(5)14)12-3-1-2-4-12/h1-4H2,(H2,10,11,13,14).
What are the key properties of 5-bromo-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 260.09 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 66286967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).