[6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine

C12H13ClN4S — CID 103291602

IUPAC[6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)cc(SCc2ccccc2Cl)n1
InChIInChI=1S/C12H13ClN4S/c1-8-15-11(17-14)6-12(16-8)18-7-9-4-2-3-5-10(9)13/h2-6H,7,14H2,1H3,(H,15,16,17)
InChIKeyVTOMWFSYZOFIRA-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.02
Rot. Bonds4

About [6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine

[6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine (PubChem CID 103291602) has the molecular formula C12H13ClN4S and a molecular weight of 280.78 g/mol. Its IUPAC name is [6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine
PubChem CID103291602
Molecular FormulaC12H13ClN4S
Molecular Weight280.78 g/mol
Exact Mass280.05
IUPAC Name[6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)cc(SCc2ccccc2Cl)n1
InChIInChI=1S/C12H13ClN4S/c1-8-15-11(17-14)6-12(16-8)18-7-9-4-2-3-5-10(9)13/h2-6H,7,14H2,1H3,(H,15,16,17)
InChIKeyVTOMWFSYZOFIRA-UHFFFAOYSA-N
XLogP3.02
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.02
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

[6-[(2-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 103291599
6-[(2-chlorophenyl)methylsulfanyl]-4-N-methylpyrimidine-2,4-diamine
CID 103291468
2-tert-butyl-6-[(2-chlorophenyl)methylsulfanyl]-N-methylpyrimidin-4-amine
CID 103291531
4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine
CID 103291463
4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine
CID 103288736
(6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine
CID 80921659
[6-(cyclopentylmethylsulfanyl)-2-methylpyrimidin-4-yl]hydrazine
CID 80930090
ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate
CID 80923704
3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
CID 7672143
6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80898136
N-[(2-chlorophenyl)methyl]-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946742
1-(2-chlorophenyl)-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylmethanamine
CID 80655140

Frequently Asked Questions

What is the IUPAC name of [6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine (CID 103291602) is [6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine is Cc1nc(NN)cc(SCc2ccccc2Cl)n1.
What is the InChIKey of [6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine?
The InChIKey is VTOMWFSYZOFIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4S/c1-8-15-11(17-14)6-12(16-8)18-7-9-4-2-3-5-10(9)13/h2-6H,7,14H2,1H3,(H,15,16,17).
What are the key properties of [6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine?
[6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine has a molecular weight of 280.78 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 103291602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).