6-(2-ethylpiperidin-1-yl)-1H-pyrimidine-4-thione

C11H17N3S — CID 51358668

IUPAC6-(2-ethylpiperidin-1-yl)-1H-pyrimidine-4-thione
SMILESCCC1CCCCN1c1cc(=S)nc[nH]1
InChIInChI=1S/C11H17N3S/c1-2-9-5-3-4-6-14(9)10-7-11(15)13-8-12-10/h7-9H,2-6H2,1H3,(H,12,13,15)
InChIKeyYRZYETZCYPNNOW-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.91
Rot. Bonds2

About 6-(2-ethylpiperidin-1-yl)-1H-pyrimidine-4-thione

6-(2-ethylpiperidin-1-yl)-1H-pyrimidine-4-thione (PubChem CID 51358668) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 6-(2-ethylpiperidin-1-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(2-ethylpiperidin-1-yl)-1H-pyrimidine-4-thione
PubChem CID51358668
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name6-(2-ethylpiperidin-1-yl)-1H-pyrimidine-4-thione
SMILESCCC1CCCCN1c1cc(=S)nc[nH]1
InChIInChI=1S/C11H17N3S/c1-2-9-5-3-4-6-14(9)10-7-11(15)13-8-12-10/h7-9H,2-6H2,1H3,(H,12,13,15)
InChIKeyYRZYETZCYPNNOW-UHFFFAOYSA-N
XLogP2.91
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpiperidin-1-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(2-ethylpiperidin-1-yl)-1H-pyrimidine-4-thione (CID 51358668) is 6-(2-ethylpiperidin-1-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(2-ethylpiperidin-1-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(2-ethylpiperidin-1-yl)-1H-pyrimidine-4-thione is CCC1CCCCN1c1cc(=S)nc[nH]1.
What is the InChIKey of 6-(2-ethylpiperidin-1-yl)-1H-pyrimidine-4-thione?
The InChIKey is YRZYETZCYPNNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-2-9-5-3-4-6-14(9)10-7-11(15)13-8-12-10/h7-9H,2-6H2,1H3,(H,12,13,15).
What are the key properties of 6-(2-ethylpiperidin-1-yl)-1H-pyrimidine-4-thione?
6-(2-ethylpiperidin-1-yl)-1H-pyrimidine-4-thione has a molecular weight of 223.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpiperidin-1-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 51358668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).