[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol

C13H12N2O3 — CID 65351888

IUPAC[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol
SMILESOCc1ccnc(C2COc3ccccc3O2)n1
InChIInChI=1S/C13H12N2O3/c16-7-9-5-6-14-13(15-9)12-8-17-10-3-1-2-4-11(10)18-12/h1-6,12,16H,7-8H2
InChIKeyOEYHLQUFZUOENU-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.48
Rot. Bonds2

About [2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol

[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol (PubChem CID 65351888) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol
PubChem CID65351888
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol
SMILESOCc1ccnc(C2COc3ccccc3O2)n1
InChIInChI=1S/C13H12N2O3/c16-7-9-5-6-14-13(15-9)12-8-17-10-3-1-2-4-11(10)18-12/h1-6,12,16H,7-8H2
InChIKeyOEYHLQUFZUOENU-UHFFFAOYSA-N
XLogP1.48
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol?
The IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol (CID 65351888) is [2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol?
The canonical SMILES for [2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol is OCc1ccnc(C2COc3ccccc3O2)n1.
What is the InChIKey of [2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol?
The InChIKey is OEYHLQUFZUOENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-7-9-5-6-14-13(15-9)12-8-17-10-3-1-2-4-11(10)18-12/h1-6,12,16H,7-8H2.
What are the key properties of [2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol?
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol has a molecular weight of 244.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 65351888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).