[6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine

C13H14Cl2N4O — CID 81001306

IUPAC[6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(C)c(Oc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C13H14Cl2N4O/c1-3-11-17-12(19-16)7(2)13(18-11)20-10-5-8(14)4-9(15)6-10/h4-6H,3,16H2,1-2H3,(H,17,18,19)
InChIKeyAAIRZNKXVUVOPR-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.73
Rot. Bonds4

About [6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine

[6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 81001306) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is [6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
PubChem CID81001306
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name[6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(C)c(Oc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C13H14Cl2N4O/c1-3-11-17-12(19-16)7(2)13(18-11)20-10-5-8(14)4-9(15)6-10/h4-6H,3,16H2,1-2H3,(H,17,18,19)
InChIKeyAAIRZNKXVUVOPR-UHFFFAOYSA-N
XLogP3.73
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.73
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

4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile
CID 81000728
[2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 81000967
6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80875061
6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989084
[2-ethyl-5-methyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-yl]hydrazine
CID 106598871
4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine
CID 80973005
(2-ethyl-6-hexoxy-5-methylpyrimidin-4-yl)hydrazine
CID 81000285
6-(4-chloro-3-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 82718447
[6-[(3-bromophenyl)methoxy]-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 82825316
[2-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine
CID 103408611
6-(2-bromo-4-chlorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989565
N-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81005929

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine (CID 81001306) is [6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine is CCc1nc(NN)c(C)c(Oc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of [6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is AAIRZNKXVUVOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-3-11-17-12(19-16)7(2)13(18-11)20-10-5-8(14)4-9(15)6-10/h4-6H,3,16H2,1-2H3,(H,17,18,19).
What are the key properties of [6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine?
[6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 313.19 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81001306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).