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

C10H14N2O4 — CID 65351262

IUPAC2-(1,4-dioxan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2COCCO2)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-2-6-9(13)11-8(12-10(6)14)7-5-15-3-4-16-7/h7H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyMSVNCRNUUXQNLO-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.13
Rot. Bonds2

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

2-(1,4-dioxan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 65351262) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID65351262
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-(1,4-dioxan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2COCCO2)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-2-6-9(13)11-8(12-10(6)14)7-5-15-3-4-16-7/h7H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyMSVNCRNUUXQNLO-UHFFFAOYSA-N
XLogP0.13
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 63612450
5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63612619
2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 64540876
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-1H-pyrimidin-6-one
CID 65351154
2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 65351208
2-(1,4-dioxan-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 65351264
2-(1,4-dioxan-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 65351316
2-(ethoxymethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 65668233
2-(1,4-dioxan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66285780

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,4-dioxan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 65351262) is 2-(1,4-dioxan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(C2COCCO2)[nH]c1=O.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is MSVNCRNUUXQNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-2-6-9(13)11-8(12-10(6)14)7-5-15-3-4-16-7/h7H,2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-(1,4-dioxan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-(1,4-dioxan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 226.23 g/mol, XLogP of 0.13, 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)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 65351262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).