2-hydroxy-1-pyrimidin-5-ylbutan-1-one

C8H10N2O2 — CID 103452977

IUPAC2-hydroxy-1-pyrimidin-5-ylbutan-1-one
SMILESCCC(O)C(=O)c1cncnc1
InChIInChI=1S/C8H10N2O2/c1-2-7(11)8(12)6-3-9-5-10-4-6/h3-5,7,11H,2H2,1H3
InChIKeyBMNYKGONHYKLFD-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.43
Rot. Bonds3

About 2-hydroxy-1-pyrimidin-5-ylbutan-1-one

2-hydroxy-1-pyrimidin-5-ylbutan-1-one (PubChem CID 103452977) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-hydroxy-1-pyrimidin-5-ylbutan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-pyrimidin-5-ylbutan-1-one
PubChem CID103452977
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-hydroxy-1-pyrimidin-5-ylbutan-1-one
SMILESCCC(O)C(=O)c1cncnc1
InChIInChI=1S/C8H10N2O2/c1-2-7(11)8(12)6-3-9-5-10-4-6/h3-5,7,11H,2H2,1H3
InChIKeyBMNYKGONHYKLFD-UHFFFAOYSA-N
XLogP0.43
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-pyrimidin-5-ylbutan-1-one?
The IUPAC name of 2-hydroxy-1-pyrimidin-5-ylbutan-1-one (CID 103452977) is 2-hydroxy-1-pyrimidin-5-ylbutan-1-one.
What is the SMILES notation for 2-hydroxy-1-pyrimidin-5-ylbutan-1-one?
The canonical SMILES for 2-hydroxy-1-pyrimidin-5-ylbutan-1-one is CCC(O)C(=O)c1cncnc1.
What is the InChIKey of 2-hydroxy-1-pyrimidin-5-ylbutan-1-one?
The InChIKey is BMNYKGONHYKLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-2-7(11)8(12)6-3-9-5-10-4-6/h3-5,7,11H,2H2,1H3.
What are the key properties of 2-hydroxy-1-pyrimidin-5-ylbutan-1-one?
2-hydroxy-1-pyrimidin-5-ylbutan-1-one has a molecular weight of 166.18 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-pyrimidin-5-ylbutan-1-one is sourced from PubChem (CID 103452977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).