2-cyclobutyl-4-hydroxy-1H-pyrimidin-6-one

C8H10N2O2 — CID 64982246

IUPAC2-cyclobutyl-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(C2CCC2)[nH]1
InChIInChI=1S/C8H10N2O2/c11-6-4-7(12)10-8(9-6)5-2-1-3-5/h4-5H,1-3H2,(H2,9,10,11,12)
InChIKeyABDDEDABYBRPSP-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.74
Rot. Bonds1

About 2-cyclobutyl-4-hydroxy-1H-pyrimidin-6-one

2-cyclobutyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 64982246) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-cyclobutyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclobutyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID64982246
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-cyclobutyl-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(C2CCC2)[nH]1
InChIInChI=1S/C8H10N2O2/c11-6-4-7(12)10-8(9-6)5-2-1-3-5/h4-5H,1-3H2,(H2,9,10,11,12)
InChIKeyABDDEDABYBRPSP-UHFFFAOYSA-N
XLogP0.74
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclobutyl-4-hydroxy-1H-pyrimidin-6-one (CID 64982246) is 2-cyclobutyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclobutyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclobutyl-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(C2CCC2)[nH]1.
What is the InChIKey of 2-cyclobutyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is ABDDEDABYBRPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-6-4-7(12)10-8(9-6)5-2-1-3-5/h4-5H,1-3H2,(H2,9,10,11,12).
What are the key properties of 2-cyclobutyl-4-hydroxy-1H-pyrimidin-6-one?
2-cyclobutyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 166.18 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 64982246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).