2-(1-ethoxycyclopentyl)-1H-pyrimidine-6-thione

C11H16N2OS — CID 106476493

IUPAC2-(1-ethoxycyclopentyl)-1H-pyrimidine-6-thione
SMILESCCOC1(c2nccc(=S)[nH]2)CCCC1
InChIInChI=1S/C11H16N2OS/c1-2-14-11(6-3-4-7-11)10-12-8-5-9(15)13-10/h5,8H,2-4,6-7H2,1H3,(H,12,13,15)
InChIKeyZQSICVCTUDTDQL-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.94
Rot. Bonds3

About 2-(1-ethoxycyclopentyl)-1H-pyrimidine-6-thione

2-(1-ethoxycyclopentyl)-1H-pyrimidine-6-thione (PubChem CID 106476493) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(1-ethoxycyclopentyl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(1-ethoxycyclopentyl)-1H-pyrimidine-6-thione
PubChem CID106476493
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(1-ethoxycyclopentyl)-1H-pyrimidine-6-thione
SMILESCCOC1(c2nccc(=S)[nH]2)CCCC1
InChIInChI=1S/C11H16N2OS/c1-2-14-11(6-3-4-7-11)10-12-8-5-9(15)13-10/h5,8H,2-4,6-7H2,1H3,(H,12,13,15)
InChIKeyZQSICVCTUDTDQL-UHFFFAOYSA-N
XLogP2.94
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.94
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 2-(1-ethoxycyclopentyl)-1H-pyrimidine-6-thione?
The IUPAC name of 2-(1-ethoxycyclopentyl)-1H-pyrimidine-6-thione (CID 106476493) is 2-(1-ethoxycyclopentyl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(1-ethoxycyclopentyl)-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(1-ethoxycyclopentyl)-1H-pyrimidine-6-thione is CCOC1(c2nccc(=S)[nH]2)CCCC1.
What is the InChIKey of 2-(1-ethoxycyclopentyl)-1H-pyrimidine-6-thione?
The InChIKey is ZQSICVCTUDTDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-14-11(6-3-4-7-11)10-12-8-5-9(15)13-10/h5,8H,2-4,6-7H2,1H3,(H,12,13,15).
What are the key properties of 2-(1-ethoxycyclopentyl)-1H-pyrimidine-6-thione?
2-(1-ethoxycyclopentyl)-1H-pyrimidine-6-thione has a molecular weight of 224.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclopentyl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106476493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).