6-cyclopentyl-1H-pyrimidine-4-thione

C9H12N2S — CID 106481906

IUPAC6-cyclopentyl-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CCCC2)[nH]cn1
InChIInChI=1S/C9H12N2S/c12-9-5-8(10-6-11-9)7-3-1-2-4-7/h5-7H,1-4H2,(H,10,11,12)
InChIKeyWOOVXCQWQHETEM-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.80
Rot. Bonds1

About 6-cyclopentyl-1H-pyrimidine-4-thione

6-cyclopentyl-1H-pyrimidine-4-thione (PubChem CID 106481906) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 6-cyclopentyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopentyl-1H-pyrimidine-4-thione
PubChem CID106481906
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name6-cyclopentyl-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CCCC2)[nH]cn1
InChIInChI=1S/C9H12N2S/c12-9-5-8(10-6-11-9)7-3-1-2-4-7/h5-7H,1-4H2,(H,10,11,12)
InChIKeyWOOVXCQWQHETEM-UHFFFAOYSA-N
XLogP2.80
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Cyclopentyl-5-fluoro-3,4-dihydropyrimidine-4-thione
CID 168017044
6-(2-Cyclopentylethyl)-5-fluoro-3,4-dihydropyrimidine-4-thione
CID 168017270
6-{Bicyclo[2.2.1]hept-5-en-2-yl}-5-fluoropyrimidine-4-thiol
CID 168018600
5-Methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 144453057
5-amino-6-(2-methyl-3-propan-2-ylpent-4-enyl)-1H-pyrimidine-4-thione
CID 169646265
5-amino-6-(2,3-dimethylpent-4-enyl)-1H-pyrimidine-4-thione
CID 169646268
6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481376
6-cyclopentyl-2-methyl-1H-pyrimidine-4-thione
CID 106481800
6-cyclopentyl-2-(dimethylamino)-1H-pyrimidine-4-thione
CID 106481828
5-bromo-6-cyclopentyl-1H-pyrimidine-4-thione
CID 106482136
6-butyl-1H-pyrimidine-4-thione
CID 106659496
6-cyclopentyl-2-(diethylamino)-1H-pyrimidine-4-thione
CID 113839868

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopentyl-1H-pyrimidine-4-thione (CID 106481906) is 6-cyclopentyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopentyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopentyl-1H-pyrimidine-4-thione is S=c1cc(C2CCCC2)[nH]cn1.
What is the InChIKey of 6-cyclopentyl-1H-pyrimidine-4-thione?
The InChIKey is WOOVXCQWQHETEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c12-9-5-8(10-6-11-9)7-3-1-2-4-7/h5-7H,1-4H2,(H,10,11,12).
What are the key properties of 6-cyclopentyl-1H-pyrimidine-4-thione?
6-cyclopentyl-1H-pyrimidine-4-thione has a molecular weight of 180.28 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).