2-(1,4-dioxan-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C11H16N2O4 — CID 65351316

IUPAC2-(1,4-dioxan-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2COCCO2)[nH]c1=O
InChIInChI=1S/C11H16N2O4/c1-6(2)8-10(14)12-9(13-11(8)15)7-5-16-3-4-17-7/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyPHIUQCVFERKMLH-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.69
Rot. Bonds2

About 2-(1,4-dioxan-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-(1,4-dioxan-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 65351316) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID65351316
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(1,4-dioxan-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2COCCO2)[nH]c1=O
InChIInChI=1S/C11H16N2O4/c1-6(2)8-10(14)12-9(13-11(8)15)7-5-16-3-4-17-7/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyPHIUQCVFERKMLH-UHFFFAOYSA-N
XLogP0.69
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-2-(methoxymethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63611277
4-hydroxy-5-propan-2-yl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63611442
5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63612619
2-(1-ethoxyethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 64540877
2-(1-ethoxyethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 64540878
2-(1-ethoxyethyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 64541089
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
2-(1,4-dioxan-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 65351264
2-(ethoxymethyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 65668235
5-ethyl-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79077583
4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 79077964

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,4-dioxan-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 65351316) is 2-(1,4-dioxan-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(C2COCCO2)[nH]c1=O.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is PHIUQCVFERKMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6(2)8-10(14)12-9(13-11(8)15)7-5-16-3-4-17-7/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-(1,4-dioxan-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-(1,4-dioxan-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 240.26 g/mol, XLogP of 0.69, 2 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-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 65351316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).