[2-(2-chloro-4-methylphenyl)-1-pyrimidin-4-ylethyl]hydrazine

C13H15ClN4 — CID 106871397

IUPAC[2-(2-chloro-4-methylphenyl)-1-pyrimidin-4-ylethyl]hydrazine
SMILESCc1ccc(CC(NN)c2ccncn2)c(Cl)c1
InChIInChI=1S/C13H15ClN4/c1-9-2-3-10(11(14)6-9)7-13(18-15)12-4-5-16-8-17-12/h2-6,8,13,18H,7,15H2,1H3
InChIKeyUNDPUEULMXXJGK-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.19
Rot. Bonds4

About [2-(2-chloro-4-methylphenyl)-1-pyrimidin-4-ylethyl]hydrazine

[2-(2-chloro-4-methylphenyl)-1-pyrimidin-4-ylethyl]hydrazine (PubChem CID 106871397) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is [2-(2-chloro-4-methylphenyl)-1-pyrimidin-4-ylethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-chloro-4-methylphenyl)-1-pyrimidin-4-ylethyl]hydrazine
PubChem CID106871397
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name[2-(2-chloro-4-methylphenyl)-1-pyrimidin-4-ylethyl]hydrazine
SMILESCc1ccc(CC(NN)c2ccncn2)c(Cl)c1
InChIInChI=1S/C13H15ClN4/c1-9-2-3-10(11(14)6-9)7-13(18-15)12-4-5-16-8-17-12/h2-6,8,13,18H,7,15H2,1H3
InChIKeyUNDPUEULMXXJGK-UHFFFAOYSA-N
XLogP2.19
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-chloro-4-methylphenyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine
CID 106871395
[2-(2-methylphenyl)-1-pyrimidin-4-ylethyl]hydrazine
CID 105221007
[2-(2,6-dichlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine
CID 105220906
[2-(2-chloro-4-methylphenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 106868341
2-(2,5-dimethylphenyl)-N-methyl-1-pyrimidin-4-ylethanamine
CID 63989159
[2-(5-chlorothiophen-2-yl)-1-pyrimidin-4-ylethyl]hydrazine
CID 105221137
[2-(2-chloro-4-methylphenyl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 106868593
[2-(3-chlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine
CID 105221178
[2-(2-bromophenyl)-1-pyrimidin-4-ylethyl]hydrazine
CID 105221180
[1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine
CID 106868466
(2-pyridin-3-yl-1-pyrimidin-4-ylethyl)hydrazine
CID 105221030
[1-(4-chloro-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine
CID 106868423

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-methylphenyl)-1-pyrimidin-4-ylethyl]hydrazine?
The IUPAC name of [2-(2-chloro-4-methylphenyl)-1-pyrimidin-4-ylethyl]hydrazine (CID 106871397) is [2-(2-chloro-4-methylphenyl)-1-pyrimidin-4-ylethyl]hydrazine.
What is the SMILES notation for [2-(2-chloro-4-methylphenyl)-1-pyrimidin-4-ylethyl]hydrazine?
The canonical SMILES for [2-(2-chloro-4-methylphenyl)-1-pyrimidin-4-ylethyl]hydrazine is Cc1ccc(CC(NN)c2ccncn2)c(Cl)c1.
What is the InChIKey of [2-(2-chloro-4-methylphenyl)-1-pyrimidin-4-ylethyl]hydrazine?
The InChIKey is UNDPUEULMXXJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-9-2-3-10(11(14)6-9)7-13(18-15)12-4-5-16-8-17-12/h2-6,8,13,18H,7,15H2,1H3.
What are the key properties of [2-(2-chloro-4-methylphenyl)-1-pyrimidin-4-ylethyl]hydrazine?
[2-(2-chloro-4-methylphenyl)-1-pyrimidin-4-ylethyl]hydrazine has a molecular weight of 262.74 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-methylphenyl)-1-pyrimidin-4-ylethyl]hydrazine is sourced from PubChem (CID 106871397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).