5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one

C8H10BrN3O2 — CID 114586321

IUPAC5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OC2CCNC2)c1Br
InChIInChI=1S/C8H10BrN3O2/c9-6-7(13)11-4-12-8(6)14-5-1-2-10-3-5/h4-5,10H,1-3H2,(H,11,12,13)
InChIKeyIDSGZFHPDNRAJN-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.27
Rot. Bonds2

About 5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one

5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one (PubChem CID 114586321) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
PubChem CID114586321
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OC2CCNC2)c1Br
InChIInChI=1S/C8H10BrN3O2/c9-6-7(13)11-4-12-8(6)14-5-1-2-10-3-5/h4-5,10H,1-3H2,(H,11,12,13)
InChIKeyIDSGZFHPDNRAJN-UHFFFAOYSA-N
XLogP0.27
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-6-(Pyrrolidin-3-yloxy)pyrimidin-4-ol hydrochloride
CID 66569893
4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one
CID 66569894
5-bromo-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939641
5-bromo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113718889
5-bromo-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586283
5-bromo-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586292
5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586312
5-chloro-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586316
5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586320
5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586322
5-iodo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586324
5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586331

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one (CID 114586321) is 5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one is O=c1[nH]cnc(OC2CCNC2)c1Br.
What is the InChIKey of 5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The InChIKey is IDSGZFHPDNRAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c9-6-7(13)11-4-12-8(6)14-5-1-2-10-3-5/h4-5,10H,1-3H2,(H,11,12,13).
What are the key properties of 5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one has a molecular weight of 260.09 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).