[2-(3-chlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine

C12H13ClN4 — CID 105221178

IUPAC[2-(3-chlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine
SMILESNNC(Cc1cccc(Cl)c1)c1ccncn1
InChIInChI=1S/C12H13ClN4/c13-10-3-1-2-9(6-10)7-12(17-14)11-4-5-15-8-16-11/h1-6,8,12,17H,7,14H2
InChIKeyZWUYGDJIEXTESX-UHFFFAOYSA-N
MW248.72 g/mol
LogP1.88
Rot. Bonds4

About [2-(3-chlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine

[2-(3-chlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine (PubChem CID 105221178) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine
PubChem CID105221178
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name[2-(3-chlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine
SMILESNNC(Cc1cccc(Cl)c1)c1ccncn1
InChIInChI=1S/C12H13ClN4/c13-10-3-1-2-9(6-10)7-12(17-14)11-4-5-15-8-16-11/h1-6,8,12,17H,7,14H2
InChIKeyZWUYGDJIEXTESX-UHFFFAOYSA-N
XLogP1.88
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 51.88
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-pyridin-3-yl-1-pyrimidin-4-ylethyl)hydrazine
CID 105221030
[2-(2,6-dichlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine
CID 105220906
[2-(3-chlorophenyl)-1-(4,6-dimethyl-2-pyridinyl)ethyl]hydrazine
CID 114269548
3-[2-(3-chlorophenyl)-1-hydrazinylethyl]pyridin-2-amine
CID 105194946
(2-pyridin-2-yl-1-pyrimidin-4-ylethyl)hydrazine
CID 105220883
[2-(5-chlorothiophen-2-yl)-1-pyrimidin-4-ylethyl]hydrazine
CID 105221137
[2-(3-chlorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
CID 105261694
[2-(2-chloro-4-methylphenyl)-1-pyrimidin-4-ylethyl]hydrazine
CID 106871397
[2-(2-bromophenyl)-1-pyrimidin-4-ylethyl]hydrazine
CID 105221180
[2-(2-methylphenyl)-1-pyrimidin-4-ylethyl]hydrazine
CID 105221007
[2-(3-chlorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine
CID 103129398
[2-(3-chlorophenyl)-1-quinolin-6-ylethyl]hydrazine
CID 105195051

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine?
The IUPAC name of [2-(3-chlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine (CID 105221178) is [2-(3-chlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine.
What is the SMILES notation for [2-(3-chlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine?
The canonical SMILES for [2-(3-chlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine is NNC(Cc1cccc(Cl)c1)c1ccncn1.
What is the InChIKey of [2-(3-chlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine?
The InChIKey is ZWUYGDJIEXTESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c13-10-3-1-2-9(6-10)7-12(17-14)11-4-5-15-8-16-11/h1-6,8,12,17H,7,14H2.
What are the key properties of [2-(3-chlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine?
[2-(3-chlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine has a molecular weight of 248.72 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine is sourced from PubChem (CID 105221178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).