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

C8H10N2O3 — CID 65350833

IUPAC2-(1,4-dioxan-2-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2COCCO2)[nH]1
InChIInChI=1S/C8H10N2O3/c11-7-1-2-9-8(10-7)6-5-12-3-4-13-6/h1-2,6H,3-5H2,(H,9,10,11)
InChIKeySVGNAOIBIOGUDW-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.14
Rot. Bonds1

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

2-(1,4-dioxan-2-yl)-1H-pyrimidin-6-one (PubChem CID 65350833) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-1H-pyrimidin-6-one
PubChem CID65350833
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(1,4-dioxan-2-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2COCCO2)[nH]1
InChIInChI=1S/C8H10N2O3/c11-7-1-2-9-8(10-7)6-5-12-3-4-13-6/h1-2,6H,3-5H2,(H,9,10,11)
InChIKeySVGNAOIBIOGUDW-UHFFFAOYSA-N
XLogP-0.14
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-2-(1-Acetoxy-ethyl)-3H-pyrimidin-4-one
CID 11105982
2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 20689207
1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate
CID 22328641
2-morpholin-2-yl-1H-pyrimidin-6-one
CID 129982008
2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one
CID 140930143
2-(oxetan-2-yl)-1H-pyrimidin-6-one
CID 141386268
2-(1-ethoxy-2-hydroxypropan-2-yl)-1H-pyrimidin-6-one
CID 165398496
2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one
CID 10855682
2-(propoxymethyl)-1H-pyrimidin-6-one
CID 61812646
2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 64540254
2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 65351154
5-bromo-2-(1,4-dioxan-2-yl)-1H-pyrimidin-6-one
CID 66314491

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,4-dioxan-2-yl)-1H-pyrimidin-6-one (CID 65350833) is 2-(1,4-dioxan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-1H-pyrimidin-6-one is O=c1ccnc(C2COCCO2)[nH]1.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is SVGNAOIBIOGUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-7-1-2-9-8(10-7)6-5-12-3-4-13-6/h1-2,6H,3-5H2,(H,9,10,11).
What are the key properties of 2-(1,4-dioxan-2-yl)-1H-pyrimidin-6-one?
2-(1,4-dioxan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 182.18 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 65350833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).