(5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine

C11H20N4S — CID 107766209

IUPAC(5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine
SMILESCCCCCSc1ncnc(NN)c1CC
InChIInChI=1S/C11H20N4S/c1-3-5-6-7-16-11-9(4-2)10(15-12)13-8-14-11/h8H,3-7,12H2,1-2H3,(H,13,14,15)
InChIKeyULNOMEFXSZDIHB-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.61
Rot. Bonds7

About (5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine

(5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 107766209) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is (5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID107766209
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name(5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine
SMILESCCCCCSc1ncnc(NN)c1CC
InChIInChI=1S/C11H20N4S/c1-3-5-6-7-16-11-9(4-2)10(15-12)13-8-14-11/h8H,3-7,12H2,1-2H3,(H,13,14,15)
InChIKeyULNOMEFXSZDIHB-UHFFFAOYSA-N
XLogP2.61
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765373
3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890303
4-butylsulfanyl-6-chloro-5-ethylpyrimidine
CID 63732711
(5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine
CID 80910142
5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765253
2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol
CID 80884568
5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine
CID 80883437
[6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine
CID 80928958
6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 80894668
(6-pentylsulfanylpyrimidin-4-yl)hydrazine
CID 107766206
N-cyclopropyl-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80932555
[5-ethyl-6-(3-methylbutan-2-yloxy)pyrimidin-4-yl]hydrazine
CID 80922712

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine (CID 107766209) is (5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine is CCCCCSc1ncnc(NN)c1CC.
What is the InChIKey of (5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is ULNOMEFXSZDIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-3-5-6-7-16-11-9(4-2)10(15-12)13-8-14-11/h8H,3-7,12H2,1-2H3,(H,13,14,15).
What are the key properties of (5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine?
(5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 240.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 107766209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).