5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylpyrimidin-4-amine

C14H14BrN3O2 — CID 66303278

IUPAC5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(C2COc3ccccc3O2)ncc1Br
InChIInChI=1S/C14H14BrN3O2/c1-2-16-13-9(15)7-17-14(18-13)12-8-19-10-5-3-4-6-11(10)20-12/h3-7,12H,2,8H2,1H3,(H,16,17,18)
InChIKeyLFFFCJRBWUJNGX-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.18
Rot. Bonds3

About 5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylpyrimidin-4-amine

5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylpyrimidin-4-amine (PubChem CID 66303278) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylpyrimidin-4-amine
PubChem CID66303278
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(C2COc3ccccc3O2)ncc1Br
InChIInChI=1S/C14H14BrN3O2/c1-2-16-13-9(15)7-17-14(18-13)12-8-19-10-5-3-4-6-11(10)20-12/h3-7,12H,2,8H2,1H3,(H,16,17,18)
InChIKeyLFFFCJRBWUJNGX-UHFFFAOYSA-N
XLogP3.18
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-ethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 79089179
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-bromo-N-ethylpyrimidin-4-amine
CID 66302048
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 65351585
1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 65351695
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-1H-1,2,4-triazole
CID 61277728
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740565
[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
2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]ethanamine
CID 65352133
N-tert-butyl-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-5-amine
CID 65351587
(1R)-1-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915342
5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine
CID 66302677

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylpyrimidin-4-amine (CID 66303278) is 5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylpyrimidin-4-amine is CCNc1nc(C2COc3ccccc3O2)ncc1Br.
What is the InChIKey of 5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylpyrimidin-4-amine?
The InChIKey is LFFFCJRBWUJNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-2-16-13-9(15)7-17-14(18-13)12-8-19-10-5-3-4-6-11(10)20-12/h3-7,12H,2,8H2,1H3,(H,16,17,18).
What are the key properties of 5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylpyrimidin-4-amine?
5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylpyrimidin-4-amine has a molecular weight of 336.19 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 66303278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).