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

C16H20N4S — CID 115916343

IUPAC[6-(cyclopentylmethylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine
SMILESNNc1cc(SCC2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H20N4S/c17-20-14-10-15(21-11-12-6-4-5-7-12)19-16(18-14)13-8-2-1-3-9-13/h1-3,8-10,12H,4-7,11,17H2,(H,18,19,20)
InChIKeyTYYQLHYYSOBELG-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.71
Rot. Bonds5

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

[6-(cyclopentylmethylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine (PubChem CID 115916343) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is [6-(cyclopentylmethylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(cyclopentylmethylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine
PubChem CID115916343
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name[6-(cyclopentylmethylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine
SMILESNNc1cc(SCC2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H20N4S/c17-20-14-10-15(21-11-12-6-4-5-7-12)19-16(18-14)13-8-2-1-3-9-13/h1-3,8-10,12H,4-7,11,17H2,(H,18,19,20)
InChIKeyTYYQLHYYSOBELG-UHFFFAOYSA-N
XLogP3.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.71
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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Frequently Asked Questions

What is the IUPAC name of [6-(cyclopentylmethylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(cyclopentylmethylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine (CID 115916343) is [6-(cyclopentylmethylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(cyclopentylmethylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(cyclopentylmethylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine is NNc1cc(SCC2CCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of [6-(cyclopentylmethylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine?
The InChIKey is TYYQLHYYSOBELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c17-20-14-10-15(21-11-12-6-4-5-7-12)19-16(18-14)13-8-2-1-3-9-13/h1-3,8-10,12H,4-7,11,17H2,(H,18,19,20).
What are the key properties of [6-(cyclopentylmethylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine?
[6-(cyclopentylmethylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine has a molecular weight of 300.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopentylmethylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 115916343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).