[2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine

C13H12Cl2N4O — CID 80969675

IUPAC[2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Oc2cc(Cl)ccc2Cl)nc(C2CC2)n1
InChIInChI=1S/C13H12Cl2N4O/c14-8-3-4-9(15)10(5-8)20-12-6-11(19-16)17-13(18-12)7-1-2-7/h3-7H,1-2,16H2,(H,17,18,19)
InChIKeyORXQIMJZTPLWJU-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.74
Rot. Bonds4

About [2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine

[2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80969675) has the molecular formula C13H12Cl2N4O and a molecular weight of 311.17 g/mol. Its IUPAC name is [2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine
PubChem CID80969675
Molecular FormulaC13H12Cl2N4O
Molecular Weight311.17 g/mol
Exact Mass310.04
IUPAC Name[2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Oc2cc(Cl)ccc2Cl)nc(C2CC2)n1
InChIInChI=1S/C13H12Cl2N4O/c14-8-3-4-9(15)10(5-8)20-12-6-11(19-16)17-13(18-12)7-1-2-7/h3-7H,1-2,16H2,(H,17,18,19)
InChIKeyORXQIMJZTPLWJU-UHFFFAOYSA-N
XLogP3.74
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropylpyrimidin-4-yl]hydrazine
CID 80969541
[6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80917703
6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965650
3-cyclopropyl-5-(2,5-dichlorophenoxy)-1,2,4-thiadiazole
CID 133424386
2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)oxybenzamide
CID 80969640
N-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 107623692
4-(5-chloro-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80921660
N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80964867
[2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80969262
6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965500
6-(2-bromo-4-chlorophenoxy)-2-cyclopropylpyrimidin-4-amine
CID 80965409
(6-cyclohexyloxy-2-cyclopropylpyrimidin-4-yl)hydrazine
CID 80968842

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine (CID 80969675) is [2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine is NNc1cc(Oc2cc(Cl)ccc2Cl)nc(C2CC2)n1.
What is the InChIKey of [2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is ORXQIMJZTPLWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O/c14-8-3-4-9(15)10(5-8)20-12-6-11(19-16)17-13(18-12)7-1-2-7/h3-7H,1-2,16H2,(H,17,18,19).
What are the key properties of [2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 311.17 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80969675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).