4-(3-aminocyclobutyl)oxy-5-bromo-1H-pyrimidin-6-one

C8H10BrN3O2 — CID 114586549

IUPAC4-(3-aminocyclobutyl)oxy-5-bromo-1H-pyrimidin-6-one
SMILESNC1CC(Oc2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C8H10BrN3O2/c9-6-7(13)11-3-12-8(6)14-5-1-4(10)2-5/h3-5H,1-2,10H2,(H,11,12,13)
InChIKeyARVDKNYAQFBSFV-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.40
Rot. Bonds2

About 4-(3-aminocyclobutyl)oxy-5-bromo-1H-pyrimidin-6-one

4-(3-aminocyclobutyl)oxy-5-bromo-1H-pyrimidin-6-one (PubChem CID 114586549) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 4-(3-aminocyclobutyl)oxy-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminocyclobutyl)oxy-5-bromo-1H-pyrimidin-6-one
PubChem CID114586549
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name4-(3-aminocyclobutyl)oxy-5-bromo-1H-pyrimidin-6-one
SMILESNC1CC(Oc2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C8H10BrN3O2/c9-6-7(13)11-3-12-8(6)14-5-1-4(10)2-5/h3-5H,1-2,10H2,(H,11,12,13)
InChIKeyARVDKNYAQFBSFV-UHFFFAOYSA-N
XLogP0.40
TPSA81.00 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 ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983141
4-(3-aminopropoxy)-5-bromo-1H-pyrimidin-6-one
CID 114586369
5-bromo-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 114586394
4-[3-(aminomethyl)cyclobutyl]oxy-5-bromo-1H-pyrimidin-6-one
CID 114586539
4-(3-aminocyclobutyl)oxy-5-chloro-1H-pyrimidin-6-one
CID 114586543
4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one
CID 114586544
5-amino-4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one
CID 114586550
4-(3-aminocyclobutyl)oxy-5-iodo-1H-pyrimidin-6-one
CID 114586552
5-bromo-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
CID 114586558
4-(3-aminocyclopentyl)oxy-5-bromo-1H-pyrimidin-6-one
CID 114586567
5-bromo-4-butan-2-yloxy-1H-pyrimidin-6-one
CID 114676255
5-bromo-4-cyclobutyloxy-1H-pyrimidin-6-one
CID 114676380

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclobutyl)oxy-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminocyclobutyl)oxy-5-bromo-1H-pyrimidin-6-one (CID 114586549) is 4-(3-aminocyclobutyl)oxy-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminocyclobutyl)oxy-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminocyclobutyl)oxy-5-bromo-1H-pyrimidin-6-one is NC1CC(Oc2nc[nH]c(=O)c2Br)C1.
What is the InChIKey of 4-(3-aminocyclobutyl)oxy-5-bromo-1H-pyrimidin-6-one?
The InChIKey is ARVDKNYAQFBSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c9-6-7(13)11-3-12-8(6)14-5-1-4(10)2-5/h3-5H,1-2,10H2,(H,11,12,13).
What are the key properties of 4-(3-aminocyclobutyl)oxy-5-bromo-1H-pyrimidin-6-one?
4-(3-aminocyclobutyl)oxy-5-bromo-1H-pyrimidin-6-one has a molecular weight of 260.09 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclobutyl)oxy-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 114586549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).