[6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine

C12H20N4S — CID 80930091

IUPAC[6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(C)c(SCC2CCCC2)n1
InChIInChI=1S/C12H20N4S/c1-8-11(16-13)14-9(2)15-12(8)17-7-10-5-3-4-6-10/h10H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyNGTYOSYWRPAIHL-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.66
Rot. Bonds4

About [6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine

[6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine (PubChem CID 80930091) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is [6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine
PubChem CID80930091
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name[6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(C)c(SCC2CCCC2)n1
InChIInChI=1S/C12H20N4S/c1-8-11(16-13)14-9(2)15-12(8)17-7-10-5-3-4-6-10/h10H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyNGTYOSYWRPAIHL-UHFFFAOYSA-N
XLogP2.66
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.66
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-cyclopentylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine
CID 80929974
(6-ethylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine
CID 80925717
N-cyclopentyl-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80932373
[6-(cyclohexylmethoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80924193
[6-(cyclopentylmethylsulfanyl)-2-methylpyrimidin-4-yl]hydrazine
CID 80930090
N-(3-cyclopentylpropyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 114137258
(6-tert-butylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine
CID 80924800
6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80889840
[6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine
CID 80928958
[5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 106498011
(6-cyclohexylsulfanyl-5-methyl-2-propylpyrimidin-4-yl)hydrazine
CID 81001237
(6-butan-2-ylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine
CID 80925464

Frequently Asked Questions

What is the IUPAC name of [6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine (CID 80930091) is [6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine is Cc1nc(NN)c(C)c(SCC2CCCC2)n1.
What is the InChIKey of [6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The InChIKey is NGTYOSYWRPAIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-8-11(16-13)14-9(2)15-12(8)17-7-10-5-3-4-6-10/h10H,3-7,13H2,1-2H3,(H,14,15,16).
What are the key properties of [6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine?
[6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine has a molecular weight of 252.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80930091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).