6-(cyclopenten-1-yl)-1H-pyrimidine-4-thione

C9H10N2S — CID 131128240

IUPAC6-(cyclopenten-1-yl)-1H-pyrimidine-4-thione
SMILESS=c1cc(C2=CCCC2)[nH]cn1
InChIInChI=1S/C9H10N2S/c12-9-5-8(10-6-11-9)7-3-1-2-4-7/h3,5-6H,1-2,4H2,(H,10,11,12)
InChIKeyQPUJBBFKGOVMHN-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.71
Rot. Bonds1

About 6-(cyclopenten-1-yl)-1H-pyrimidine-4-thione

6-(cyclopenten-1-yl)-1H-pyrimidine-4-thione (PubChem CID 131128240) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 6-(cyclopenten-1-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(cyclopenten-1-yl)-1H-pyrimidine-4-thione
PubChem CID131128240
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name6-(cyclopenten-1-yl)-1H-pyrimidine-4-thione
SMILESS=c1cc(C2=CCCC2)[nH]cn1
InChIInChI=1S/C9H10N2S/c12-9-5-8(10-6-11-9)7-3-1-2-4-7/h3,5-6H,1-2,4H2,(H,10,11,12)
InChIKeyQPUJBBFKGOVMHN-UHFFFAOYSA-N
XLogP2.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(cyclopenten-1-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(cyclopenten-1-yl)-1H-pyrimidine-4-thione (CID 131128240) is 6-(cyclopenten-1-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(cyclopenten-1-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(cyclopenten-1-yl)-1H-pyrimidine-4-thione is S=c1cc(C2=CCCC2)[nH]cn1.
What is the InChIKey of 6-(cyclopenten-1-yl)-1H-pyrimidine-4-thione?
The InChIKey is QPUJBBFKGOVMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c12-9-5-8(10-6-11-9)7-3-1-2-4-7/h3,5-6H,1-2,4H2,(H,10,11,12).
What are the key properties of 6-(cyclopenten-1-yl)-1H-pyrimidine-4-thione?
6-(cyclopenten-1-yl)-1H-pyrimidine-4-thione has a molecular weight of 178.26 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopenten-1-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 131128240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).