[6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine

C12H13ClN4S — CID 80939919

IUPAC[6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(Sc2cccc(Cl)c2)n1
InChIInChI=1S/C12H13ClN4S/c1-2-10-15-11(17-14)7-12(16-10)18-9-5-3-4-8(13)6-9/h3-7H,2,14H2,1H3,(H,15,16,17)
InChIKeyLBVBYCCIUIPAJF-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.13
Rot. Bonds4

About [6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine

[6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine (PubChem CID 80939919) has the molecular formula C12H13ClN4S and a molecular weight of 280.78 g/mol. Its IUPAC name is [6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine
PubChem CID80939919
Molecular FormulaC12H13ClN4S
Molecular Weight280.78 g/mol
Exact Mass280.05
IUPAC Name[6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(Sc2cccc(Cl)c2)n1
InChIInChI=1S/C12H13ClN4S/c1-2-10-15-11(17-14)7-12(16-10)18-9-5-3-4-8(13)6-9/h3-7H,2,14H2,1H3,(H,15,16,17)
InChIKeyLBVBYCCIUIPAJF-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
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-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine
CID 80947692
[2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine
CID 66146872
6-(3-chlorophenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80892292
N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937232
6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80892361
[2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
CID 66146870
[2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107766316
4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine
CID 80936563
2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine
CID 80939312
2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine
CID 80939308
[2-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80939777
N-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80938024

Frequently Asked Questions

What is the IUPAC name of [6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine (CID 80939919) is [6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine is CCc1nc(NN)cc(Sc2cccc(Cl)c2)n1.
What is the InChIKey of [6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine?
The InChIKey is LBVBYCCIUIPAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4S/c1-2-10-15-11(17-14)7-12(16-10)18-9-5-3-4-8(13)6-9/h3-7H,2,14H2,1H3,(H,15,16,17).
What are the key properties of [6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine?
[6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine has a molecular weight of 280.78 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80939919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).