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

C11H10Cl2N4O — CID 80915153

IUPAC[4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
SMILESCc1cnc(NN)nc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N4O/c1-6-5-15-11(17-14)16-10(6)18-9-3-2-7(12)4-8(9)13/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyIURGBHGTCXHXAS-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.17
Rot. Bonds3

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

[4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine (PubChem CID 80915153) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is [4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
PubChem CID80915153
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name[4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
SMILESCc1cnc(NN)nc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N4O/c1-6-5-15-11(17-14)16-10(6)18-9-3-2-7(12)4-8(9)13/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyIURGBHGTCXHXAS-UHFFFAOYSA-N
XLogP3.17
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.17
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

[5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80918493
[4-[(4-chlorophenyl)methoxy]-5-methylpyrimidin-2-yl]hydrazine
CID 80921881
[4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 83237844
[4-(2-methoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80917253
5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine
CID 80869450
[4-(2-bromophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80913487
[5-methyl-4-[(2-methyl-3-pyridinyl)oxy]pyrimidin-2-yl]hydrazine
CID 80923549
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662868
4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80880647
[4-(2-fluoro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80921201
[4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80918360
[4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80920125

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine (CID 80915153) is [4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine is Cc1cnc(NN)nc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of [4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine?
The InChIKey is IURGBHGTCXHXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c1-6-5-15-11(17-14)16-10(6)18-9-3-2-7(12)4-8(9)13/h2-5H,14H2,1H3,(H,15,16,17).
What are the key properties of [4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine?
[4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine has a molecular weight of 285.13 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80915153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).