3-[2-(1,3-dioxan-2-yl)ethyl]pyrimidin-4-one

C10H14N2O3 — CID 66472540

IUPAC3-[2-(1,3-dioxan-2-yl)ethyl]pyrimidin-4-one
SMILESO=c1ccncn1CCC1OCCCO1
InChIInChI=1S/C10H14N2O3/c13-9-2-4-11-8-12(9)5-3-10-14-6-1-7-15-10/h2,4,8,10H,1,3,5-7H2
InChIKeySPPOYGYKEHXUOR-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.40
Rot. Bonds3

About 3-[2-(1,3-dioxan-2-yl)ethyl]pyrimidin-4-one

3-[2-(1,3-dioxan-2-yl)ethyl]pyrimidin-4-one (PubChem CID 66472540) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-[2-(1,3-dioxan-2-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(1,3-dioxan-2-yl)ethyl]pyrimidin-4-one
PubChem CID66472540
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-[2-(1,3-dioxan-2-yl)ethyl]pyrimidin-4-one
SMILESO=c1ccncn1CCC1OCCCO1
InChIInChI=1S/C10H14N2O3/c13-9-2-4-11-8-12(9)5-3-10-14-6-1-7-15-10/h2,4,8,10H,1,3,5-7H2
InChIKeySPPOYGYKEHXUOR-UHFFFAOYSA-N
XLogP0.40
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,3-Diethoxypropyl)pyrimidin-4-one
CID 63769542
3-(2,2-Diethoxyethyl)pyrimidin-4-one
CID 63769550
3-[2-(1,3-Dioxan-2-yl)ethyl]-6-methylpyrimidin-4-one
CID 66473539
5-Bromo-3-[2-(1,3-dioxan-2-yl)ethyl]pyrimidin-4-one
CID 66474955
3-[2-(1,3-Dioxan-2-yl)ethyl]-5-iodopyrimidin-4-one
CID 66474958

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-dioxan-2-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(1,3-dioxan-2-yl)ethyl]pyrimidin-4-one (CID 66472540) is 3-[2-(1,3-dioxan-2-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(1,3-dioxan-2-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(1,3-dioxan-2-yl)ethyl]pyrimidin-4-one is O=c1ccncn1CCC1OCCCO1.
What is the InChIKey of 3-[2-(1,3-dioxan-2-yl)ethyl]pyrimidin-4-one?
The InChIKey is SPPOYGYKEHXUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-9-2-4-11-8-12(9)5-3-10-14-6-1-7-15-10/h2,4,8,10H,1,3,5-7H2.
What are the key properties of 3-[2-(1,3-dioxan-2-yl)ethyl]pyrimidin-4-one?
3-[2-(1,3-dioxan-2-yl)ethyl]pyrimidin-4-one has a molecular weight of 210.23 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-dioxan-2-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 66472540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).