5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one

C8H10N2O2 — CID 170476017

IUPAC5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1C=CCCO
InChIInChI=1S/C8H10N2O2/c11-4-2-1-3-7-5-9-6-10-8(7)12/h1,3,5-6,11H,2,4H2,(H,9,10,12)
InChIKeyCXXDJAPBCCJIFC-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.17
Rot. Bonds3

About 5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one

5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one (PubChem CID 170476017) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one
PubChem CID170476017
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1C=CCCO
InChIInChI=1S/C8H10N2O2/c11-4-2-1-3-7-5-9-6-10-8(7)12/h1,3,5-6,11H,2,4H2,(H,9,10,12)
InChIKeyCXXDJAPBCCJIFC-UHFFFAOYSA-N
XLogP0.17
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one (CID 170476017) is 5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one is O=c1[nH]cncc1C=CCCO.
What is the InChIKey of 5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one?
The InChIKey is CXXDJAPBCCJIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-4-2-1-3-7-5-9-6-10-8(7)12/h1,3,5-6,11H,2,4H2,(H,9,10,12).
What are the key properties of 5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one?
5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one has a molecular weight of 166.18 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 170476017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).