4-(azetidin-3-yloxy)-5-bromo-1H-pyrimidin-6-one

C7H8BrN3O2 — CID 114586447

IUPAC4-(azetidin-3-yloxy)-5-bromo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OC2CNC2)c1Br
InChIInChI=1S/C7H8BrN3O2/c8-5-6(12)10-3-11-7(5)13-4-1-9-2-4/h3-4,9H,1-2H2,(H,10,11,12)
InChIKeyYDNWDVJQRNBJDT-UHFFFAOYSA-N
MW246.06 g/mol
LogP-0.12
Rot. Bonds2

About 4-(azetidin-3-yloxy)-5-bromo-1H-pyrimidin-6-one

4-(azetidin-3-yloxy)-5-bromo-1H-pyrimidin-6-one (PubChem CID 114586447) has the molecular formula C7H8BrN3O2 and a molecular weight of 246.06 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(azetidin-3-yloxy)-5-bromo-1H-pyrimidin-6-one
PubChem CID114586447
Molecular FormulaC7H8BrN3O2
Molecular Weight246.06 g/mol
Exact Mass244.98
IUPAC Name4-(azetidin-3-yloxy)-5-bromo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OC2CNC2)c1Br
InChIInChI=1S/C7H8BrN3O2/c8-5-6(12)10-3-11-7(5)13-4-1-9-2-4/h3-4,9H,1-2H2,(H,10,11,12)
InChIKeyYDNWDVJQRNBJDT-UHFFFAOYSA-N
XLogP-0.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586302
5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586312
5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586331
5-bromo-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586340
4-(2-aminoethoxy)-5-bromo-1H-pyrimidin-6-one
CID 114586359
4-(3-aminopropoxy)-5-bromo-1H-pyrimidin-6-one
CID 114586369
5-bromo-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586385
4-(azetidin-3-yloxy)-5-chloro-1H-pyrimidin-6-one
CID 114586441
4-(azetidin-3-yloxy)-1H-pyrimidin-6-one
CID 114586442
4-(azetidin-3-yloxy)-5-methoxy-1H-pyrimidin-6-one
CID 114586446
4-(azetidin-3-yloxy)-5-iodo-1H-pyrimidin-6-one
CID 114586450
5-bromo-4-propan-2-yloxy-1H-pyrimidin-6-one
CID 114676108

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxy)-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-(azetidin-3-yloxy)-5-bromo-1H-pyrimidin-6-one (CID 114586447) is 4-(azetidin-3-yloxy)-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(azetidin-3-yloxy)-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(azetidin-3-yloxy)-5-bromo-1H-pyrimidin-6-one is O=c1[nH]cnc(OC2CNC2)c1Br.
What is the InChIKey of 4-(azetidin-3-yloxy)-5-bromo-1H-pyrimidin-6-one?
The InChIKey is YDNWDVJQRNBJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O2/c8-5-6(12)10-3-11-7(5)13-4-1-9-2-4/h3-4,9H,1-2H2,(H,10,11,12).
What are the key properties of 4-(azetidin-3-yloxy)-5-bromo-1H-pyrimidin-6-one?
4-(azetidin-3-yloxy)-5-bromo-1H-pyrimidin-6-one has a molecular weight of 246.06 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxy)-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 114586447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).