[(3,4-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine

C12H12Cl2N4 — CID 105260527

IUPAC[(3,4-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
SMILESCc1nccc(C(NN)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H12Cl2N4/c1-7-16-5-4-11(17-7)12(18-15)8-2-3-9(13)10(14)6-8/h2-6,12,18H,15H2,1H3
InChIKeyVHBPABDAQWYPPR-UHFFFAOYSA-N
MW283.16 g/mol
LogP2.64
Rot. Bonds3

About [(3,4-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine

[(3,4-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine (PubChem CID 105260527) has the molecular formula C12H12Cl2N4 and a molecular weight of 283.16 g/mol. Its IUPAC name is [(3,4-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3,4-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
PubChem CID105260527
Molecular FormulaC12H12Cl2N4
Molecular Weight283.16 g/mol
Exact Mass282.04
IUPAC Name[(3,4-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
SMILESCc1nccc(C(NN)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H12Cl2N4/c1-7-16-5-4-11(17-7)12(18-15)8-2-3-9(13)10(14)6-8/h2-6,12,18H,15H2,1H3
InChIKeyVHBPABDAQWYPPR-UHFFFAOYSA-N
XLogP2.64
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 52.64
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

[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 105260453
[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 107292392
5-chloro-3-[hydrazinyl-(2-methylpyrimidin-4-yl)methyl]pyridin-2-amine
CID 105260556
[(3,4-dichlorophenyl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105194109
[(3,4-dichlorophenyl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105257086
[(1-methylpyrazol-4-yl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 105260408
[(3-chloro-4-iodophenyl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 103217225
[(2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105260530
[(5-bromo-2-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 105260559
N-[(2,5-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 115530861
[(3-bromo-4-chlorophenyl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 105261003
N-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 105395384

Frequently Asked Questions

What is the IUPAC name of [(3,4-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine?
The IUPAC name of [(3,4-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine (CID 105260527) is [(3,4-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3,4-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine?
The canonical SMILES for [(3,4-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine is Cc1nccc(C(NN)c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of [(3,4-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine?
The InChIKey is VHBPABDAQWYPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4/c1-7-16-5-4-11(17-7)12(18-15)8-2-3-9(13)10(14)6-8/h2-6,12,18H,15H2,1H3.
What are the key properties of [(3,4-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine?
[(3,4-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine has a molecular weight of 283.16 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,4-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine is sourced from PubChem (CID 105260527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).