[6-(cyclopentylmethylsulfanyl)-2-methylpyrimidin-4-yl]hydrazine

C11H18N4S — CID 80930090

IUPAC[6-(cyclopentylmethylsulfanyl)-2-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)cc(SCC2CCCC2)n1
InChIInChI=1S/C11H18N4S/c1-8-13-10(15-12)6-11(14-8)16-7-9-4-2-3-5-9/h6,9H,2-5,7,12H2,1H3,(H,13,14,15)
InChIKeyTZTDIVPXXXDXFX-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.35
Rot. Bonds4

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

[6-(cyclopentylmethylsulfanyl)-2-methylpyrimidin-4-yl]hydrazine (PubChem CID 80930090) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is [6-(cyclopentylmethylsulfanyl)-2-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(cyclopentylmethylsulfanyl)-2-methylpyrimidin-4-yl]hydrazine
PubChem CID80930090
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name[6-(cyclopentylmethylsulfanyl)-2-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)cc(SCC2CCCC2)n1
InChIInChI=1S/C11H18N4S/c1-8-13-10(15-12)6-11(14-8)16-7-9-4-2-3-5-9/h6,9H,2-5,7,12H2,1H3,(H,13,14,15)
InChIKeyTZTDIVPXXXDXFX-UHFFFAOYSA-N
XLogP2.35
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.35
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-(cyclopentylmethylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine
CID 115916343
(6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine
CID 80921659
[6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80930091
ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate
CID 80923704
[2-methyl-6-(3-methylcyclohexyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80929333
N,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497707
[6-(2-cyclobutylethoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 106207928
[6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine
CID 103291602
4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138816
[2-cyclopropyl-6-(2-methylpropylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979578
(2,6-dimethylpyrimidin-4-yl)hydrazine
CID 736395
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80899426

Frequently Asked Questions

What is the IUPAC name of [6-(cyclopentylmethylsulfanyl)-2-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(cyclopentylmethylsulfanyl)-2-methylpyrimidin-4-yl]hydrazine (CID 80930090) is [6-(cyclopentylmethylsulfanyl)-2-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(cyclopentylmethylsulfanyl)-2-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(cyclopentylmethylsulfanyl)-2-methylpyrimidin-4-yl]hydrazine is Cc1nc(NN)cc(SCC2CCCC2)n1.
What is the InChIKey of [6-(cyclopentylmethylsulfanyl)-2-methylpyrimidin-4-yl]hydrazine?
The InChIKey is TZTDIVPXXXDXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-8-13-10(15-12)6-11(14-8)16-7-9-4-2-3-5-9/h6,9H,2-5,7,12H2,1H3,(H,13,14,15).
What are the key properties of [6-(cyclopentylmethylsulfanyl)-2-methylpyrimidin-4-yl]hydrazine?
[6-(cyclopentylmethylsulfanyl)-2-methylpyrimidin-4-yl]hydrazine has a molecular weight of 238.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopentylmethylsulfanyl)-2-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80930090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).