2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one

C8H10N2O4 — CID 65351154

IUPAC2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(C2COCCO2)[nH]1
InChIInChI=1S/C8H10N2O4/c11-6-3-7(12)10-8(9-6)5-4-13-1-2-14-5/h3,5H,1-2,4H2,(H2,9,10,11,12)
InChIKeyJTWXXEQCWLKQKU-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.44
Rot. Bonds1

About 2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one

2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 65351154) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID65351154
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(C2COCCO2)[nH]1
InChIInChI=1S/C8H10N2O4/c11-6-3-7(12)10-8(9-6)5-4-13-1-2-14-5/h3,5H,1-2,4H2,(H2,9,10,11,12)
InChIKeyJTWXXEQCWLKQKU-UHFFFAOYSA-N
XLogP-0.44
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-2-morpholin-2-yl-1H-pyrimidin-6-one
CID 174684388
2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 64540875
2-(1,4-dioxan-2-yl)-1H-pyrimidin-6-one
CID 65350833
2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 65351208
2-(1,4-dioxan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 65351262
5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 66284748
2-(1,4-dioxan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66285780
4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79077280
4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79616994
2-(4-ethylmorpholin-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 79666657
4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927163
4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one
CID 116705670

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 65351154) is 2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(C2COCCO2)[nH]1.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is JTWXXEQCWLKQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c11-6-3-7(12)10-8(9-6)5-4-13-1-2-14-5/h3,5H,1-2,4H2,(H2,9,10,11,12).
What are the key properties of 2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 198.18 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 65351154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).