[2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-yl]hydrazine

C11H9ClN4O2 — CID 62250935

IUPAC[2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-yl]hydrazine
SMILESNNc1ccnc(-c2cc(Cl)c3c(c2)OCO3)n1
InChIInChI=1S/C11H9ClN4O2/c12-7-3-6(4-8-10(7)18-5-17-8)11-14-2-1-9(15-11)16-13/h1-4H,5,13H2,(H,14,15,16)
InChIKeyWAIYBFDVQLVYIR-UHFFFAOYSA-N
MW264.67 g/mol
LogP1.81
Rot. Bonds2

About [2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-yl]hydrazine

[2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-yl]hydrazine (PubChem CID 62250935) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is [2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-yl]hydrazine
PubChem CID62250935
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name[2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-yl]hydrazine
SMILESNNc1ccnc(-c2cc(Cl)c3c(c2)OCO3)n1
InChIInChI=1S/C11H9ClN4O2/c12-7-3-6(4-8-10(7)18-5-17-8)11-14-2-1-9(15-11)16-13/h1-4H,5,13H2,(H,14,15,16)
InChIKeyWAIYBFDVQLVYIR-UHFFFAOYSA-N
XLogP1.81
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.81
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-(7-chloro-1,3-benzodioxol-5-yl)-6-propylpyrimidin-4-yl]hydrazine
CID 62251286
[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 62251681
2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine
CID 55063355
4,6-dichloro-2-(7-chloro-1,3-benzodioxol-5-yl)-5-ethylpyrimidine
CID 63613158
2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 62202057
6-tert-butyl-2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-amine
CID 62204219
2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 62915670
5-bromo-2-(7-chloro-1,3-benzodioxol-5-yl)-6-ethylpyrimidin-4-amine
CID 66296558
2-(7-chloro-1,3-benzodioxol-5-yl)-4-(chloromethyl)-1,3-thiazole
CID 43143705
4-chloro-2-(7-chloro-1,3-benzodioxol-5-yl)-5-iodo-6-propan-2-ylpyrimidine
CID 66312270
5-(7-chloro-1,3-benzodioxol-5-yl)-3-propan-2-ylimidazol-4-amine
CID 62019769
[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 62252059

Frequently Asked Questions

What is the IUPAC name of [2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-yl]hydrazine (CID 62250935) is [2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-yl]hydrazine is NNc1ccnc(-c2cc(Cl)c3c(c2)OCO3)n1.
What is the InChIKey of [2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is WAIYBFDVQLVYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c12-7-3-6(4-8-10(7)18-5-17-8)11-14-2-1-9(15-11)16-13/h1-4H,5,13H2,(H,14,15,16).
What are the key properties of [2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-yl]hydrazine?
[2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 264.67 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62250935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).