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

C13H14N4O2 — CID 82192466

IUPAC[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc(-c2ccc3c(c2)OCCO3)nc(NN)n1
InChIInChI=1S/C13H14N4O2/c1-8-6-10(16-13(15-8)17-14)9-2-3-11-12(7-9)19-5-4-18-11/h2-3,6-7H,4-5,14H2,1H3,(H,15,16,17)
InChIKeyMQGIZOUXVHITJK-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.51
Rot. Bonds2

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

[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]hydrazine (PubChem CID 82192466) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]hydrazine
PubChem CID82192466
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc(-c2ccc3c(c2)OCCO3)nc(NN)n1
InChIInChI=1S/C13H14N4O2/c1-8-6-10(16-13(15-8)17-14)9-2-3-11-12(7-9)19-5-4-18-11/h2-3,6-7H,4-5,14H2,1H3,(H,15,16,17)
InChIKeyMQGIZOUXVHITJK-UHFFFAOYSA-N
XLogP1.51
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.51
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-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
CID 116897223
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 95474302
[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine
CID 82192450
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine
CID 62203853
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole
CID 82127137
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine
CID 116903863
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
CID 43557784
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline
CID 2620938
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine
CID 80946171
(4,6-dimethylpyrimidin-2-yl)hydrazine;hydrochloride
CID 134128947
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970173

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]hydrazine (CID 82192466) is [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]hydrazine is Cc1cc(-c2ccc3c(c2)OCCO3)nc(NN)n1.
What is the InChIKey of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]hydrazine?
The InChIKey is MQGIZOUXVHITJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-6-10(16-13(15-8)17-14)9-2-3-11-12(7-9)19-5-4-18-11/h2-3,6-7H,4-5,14H2,1H3,(H,15,16,17).
What are the key properties of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]hydrazine?
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]hydrazine has a molecular weight of 258.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 82192466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).