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

C13H15ClN4S — CID 66146872

IUPAC[2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine
SMILESCCc1cc(NN)nc(CSc2cccc(Cl)c2)n1
InChIInChI=1S/C13H15ClN4S/c1-2-10-7-12(18-15)17-13(16-10)8-19-11-5-3-4-9(14)6-11/h3-7H,2,8,15H2,1H3,(H,16,17,18)
InChIKeyIEFPDMDXKOGUNG-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.27
Rot. Bonds5

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

[2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine (PubChem CID 66146872) has the molecular formula C13H15ClN4S and a molecular weight of 294.81 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine
PubChem CID66146872
Molecular FormulaC13H15ClN4S
Molecular Weight294.81 g/mol
Exact Mass294.07
IUPAC Name[2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine
SMILESCCc1cc(NN)nc(CSc2cccc(Cl)c2)n1
InChIInChI=1S/C13H15ClN4S/c1-2-10-7-12(18-15)17-13(16-10)8-19-11-5-3-4-9(14)6-11/h3-7H,2,8,15H2,1H3,(H,16,17,18)
InChIKeyIEFPDMDXKOGUNG-UHFFFAOYSA-N
XLogP3.27
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.27
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

[2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
CID 66146870
[2-[(4-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
CID 66143033
[2-(phenylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 65143778
[6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine
CID 80939919
[6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
CID 66086445
2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine
CID 66148751
4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-5-iodopyrimidine
CID 66292997
2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine
CID 66146663
4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine
CID 80550233
1-[2-[(3-chlorophenyl)sulfanylmethyl]pyrimidin-4-yl]propan-2-amine
CID 66148956
5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-N-methylpyrimidin-4-amine
CID 66301009
3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine
CID 66148676

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine (CID 66146872) is [2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine is CCc1cc(NN)nc(CSc2cccc(Cl)c2)n1.
What is the InChIKey of [2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine?
The InChIKey is IEFPDMDXKOGUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4S/c1-2-10-7-12(18-15)17-13(16-10)8-19-11-5-3-4-9(14)6-11/h3-7H,2,8,15H2,1H3,(H,16,17,18).
What are the key properties of [2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine?
[2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine has a molecular weight of 294.81 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 66146872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).