2-(oxolan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

C11H14N2OS — CID 106477562

IUPAC2-(oxolan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESS=c1nc(C2CCCO2)[nH]c2c1CCC2
InChIInChI=1S/C11H14N2OS/c15-11-7-3-1-4-8(7)12-10(13-11)9-5-2-6-14-9/h9H,1-6H2,(H,12,13,15)
InChIKeyVDACUISTUYECDU-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.48
Rot. Bonds1

About 2-(oxolan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

2-(oxolan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (PubChem CID 106477562) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(oxolan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
PubChem CID106477562
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-(oxolan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESS=c1nc(C2CCCO2)[nH]c2c1CCC2
InChIInChI=1S/C11H14N2OS/c15-11-7-3-1-4-8(7)12-10(13-11)9-5-2-6-14-9/h9H,1-6H2,(H,12,13,15)
InChIKeyVDACUISTUYECDU-UHFFFAOYSA-N
XLogP2.48
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477402
2-(4-methylmorpholin-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478746
2-cycloheptyl-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478648
2-(2-methylcyclopropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477566
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477522
2-(3-methylcyclopentyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477446
2-(oxan-2-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477343
2-(4-methylcyclohexyl)-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478596
2-(2-bicyclo[2.2.1]heptanyl)-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478610
2-tert-butyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477330
2-(1,4-dimethylpiperazin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477168
2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile
CID 79004157

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The IUPAC name of 2-(oxolan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (CID 106477562) is 2-(oxolan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.
What is the SMILES notation for 2-(oxolan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The canonical SMILES for 2-(oxolan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is S=c1nc(C2CCCO2)[nH]c2c1CCC2.
What is the InChIKey of 2-(oxolan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The InChIKey is VDACUISTUYECDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c15-11-7-3-1-4-8(7)12-10(13-11)9-5-2-6-14-9/h9H,1-6H2,(H,12,13,15).
What are the key properties of 2-(oxolan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
2-(oxolan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione has a molecular weight of 222.31 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is sourced from PubChem (CID 106477562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).