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

C11H16N2O4 — CID 65351264

IUPAC2-(1,4-dioxan-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2COCCO2)[nH]c1=O
InChIInChI=1S/C11H16N2O4/c1-2-3-7-10(14)12-9(13-11(7)15)8-6-16-4-5-17-8/h8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyAFKJRVHGNAUOKA-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.52
Rot. Bonds3

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

2-(1,4-dioxan-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 65351264) 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-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID65351264
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(1,4-dioxan-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2COCCO2)[nH]c1=O
InChIInChI=1S/C11H16N2O4/c1-2-3-7-10(14)12-9(13-11(7)15)8-6-16-4-5-17-8/h8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyAFKJRVHGNAUOKA-UHFFFAOYSA-N
XLogP0.52
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-2-(methoxymethyl)-5-propyl-1H-pyrimidin-6-one
CID 63613286
4-hydroxy-2-(propoxymethyl)-5-propyl-1H-pyrimidin-6-one
CID 63613288
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
4-hydroxy-2-(oxolan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 65331631
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-propan-2-yl-1H-pyrimidin-6-one
CID 65351316
2-(ethoxymethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 65668234
4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 79077775
4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 79201546

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,4-dioxan-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 65351264) is 2-(1,4-dioxan-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C2COCCO2)[nH]c1=O.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is AFKJRVHGNAUOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-2-3-7-10(14)12-9(13-11(7)15)8-6-16-4-5-17-8/h8H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-(1,4-dioxan-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-(1,4-dioxan-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 240.26 g/mol, XLogP of 0.52, 3 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-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 65351264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).