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

C10H12BrN3O2 — CID 66309783

IUPAC5-bromo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cncc(Br)c1=O)N1CCCC1
InChIInChI=1S/C10H12BrN3O2/c11-8-5-12-7-14(10(8)16)6-9(15)13-3-1-2-4-13/h5,7H,1-4,6H2
InChIKeyLYCGJXZWERXTMQ-UHFFFAOYSA-N
MW286.13 g/mol
LogP0.63
Rot. Bonds2

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

5-bromo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (PubChem CID 66309783) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 5-bromo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
PubChem CID66309783
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name5-bromo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cncc(Br)c1=O)N1CCCC1
InChIInChI=1S/C10H12BrN3O2/c11-8-5-12-7-14(10(8)16)6-9(15)13-3-1-2-4-13/h5,7H,1-4,6H2
InChIKeyLYCGJXZWERXTMQ-UHFFFAOYSA-N
XLogP0.63
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (CID 66309783) is 5-bromo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is O=C(Cn1cncc(Br)c1=O)N1CCCC1.
What is the InChIKey of 5-bromo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is LYCGJXZWERXTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c11-8-5-12-7-14(10(8)16)6-9(15)13-3-1-2-4-13/h5,7H,1-4,6H2.
What are the key properties of 5-bromo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
5-bromo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 286.13 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 66309783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).