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

C14H15N3O2 — CID 65352133

IUPAC2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]ethanamine
SMILESNCCc1ccnc(C2COc3ccccc3O2)n1
InChIInChI=1S/C14H15N3O2/c15-7-5-10-6-8-16-14(17-10)13-9-18-11-3-1-2-4-12(11)19-13/h1-4,6,8,13H,5,7,9,15H2
InChIKeyTUCLTPXOMBDHER-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.49
Rot. Bonds3

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

2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]ethanamine (PubChem CID 65352133) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]ethanamine
PubChem CID65352133
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]ethanamine
SMILESNCCc1ccnc(C2COc3ccccc3O2)n1
InChIInChI=1S/C14H15N3O2/c15-7-5-10-6-8-16-14(17-10)13-9-18-11-3-1-2-4-12(11)19-13/h1-4,6,8,13H,5,7,9,15H2
InChIKeyTUCLTPXOMBDHER-UHFFFAOYSA-N
XLogP1.49
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol
CID 65351888
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 65351595
4-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,5-triazin-2-amine
CID 65356241
1-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81164247
1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 65351695
(1R)-1-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915342
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740565
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-1H-1,2,4-triazole
CID 61277728
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine
CID 15053
5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylpyrimidin-4-amine
CID 66303278
4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65352142
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]ethanamine
CID 55175289

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]ethanamine (CID 65352133) is 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]ethanamine is NCCc1ccnc(C2COc3ccccc3O2)n1.
What is the InChIKey of 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]ethanamine?
The InChIKey is TUCLTPXOMBDHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-7-5-10-6-8-16-14(17-10)13-9-18-11-3-1-2-4-12(11)19-13/h1-4,6,8,13H,5,7,9,15H2.
What are the key properties of 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]ethanamine?
2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]ethanamine has a molecular weight of 257.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 65352133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).