[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine

C14H16N4O2 — CID 65351585

IUPAC[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(C2COc3ccccc3O2)nc(NN)c1C
InChIInChI=1S/C14H16N4O2/c1-8-9(2)16-14(17-13(8)18-15)12-7-19-10-5-3-4-6-11(10)20-12/h3-6,12H,7,15H2,1-2H3,(H,16,17,18)
InChIKeyTZIIDQKVGYFXHO-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.89
Rot. Bonds2

About [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine

[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine (PubChem CID 65351585) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine
PubChem CID65351585
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(C2COc3ccccc3O2)nc(NN)c1C
InChIInChI=1S/C14H16N4O2/c1-8-9(2)16-14(17-13(8)18-15)12-7-19-10-5-3-4-6-11(10)20-12/h3-6,12H,7,15H2,1-2H3,(H,16,17,18)
InChIKeyTZIIDQKVGYFXHO-UHFFFAOYSA-N
XLogP1.89
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 65351595
1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 65351695
4-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,5-triazin-2-amine
CID 65356241
5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylpyrimidin-4-amine
CID 66303278
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471931
N-tert-butyl-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-5-amine
CID 65351587
1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 65352108
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 65352023
(1R)-1-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915342
5-(1-chloroethyl)-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazole
CID 65353525
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propan-2-ylpyrimidine
CID 65350725
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-1H-1,2,4-triazole
CID 61277728

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine (CID 65351585) is [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine is Cc1nc(C2COc3ccccc3O2)nc(NN)c1C.
What is the InChIKey of [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine?
The InChIKey is TZIIDQKVGYFXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-9(2)16-14(17-13(8)18-15)12-7-19-10-5-3-4-6-11(10)20-12/h3-6,12H,7,15H2,1-2H3,(H,16,17,18).
What are the key properties of [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine?
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine has a molecular weight of 272.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 65351585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).