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

C11H16N2OS — CID 106477464

IUPAC2-(2-methoxypropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESCOC(C)Cc1nc(=S)c2c([nH]1)CCC2
InChIInChI=1S/C11H16N2OS/c1-7(14-2)6-10-12-9-5-3-4-8(9)11(15)13-10/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeySLTKUXUGUDJWLG-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.21
Rot. Bonds3

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

2-(2-methoxypropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (PubChem CID 106477464) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(2-methoxypropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(2-methoxypropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
PubChem CID106477464
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(2-methoxypropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESCOC(C)Cc1nc(=S)c2c([nH]1)CCC2
InChIInChI=1S/C11H16N2OS/c1-7(14-2)6-10-12-9-5-3-4-8(9)11(15)13-10/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeySLTKUXUGUDJWLG-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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-(2-methoxypropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The IUPAC name of 2-(2-methoxypropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (CID 106477464) is 2-(2-methoxypropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.
What is the SMILES notation for 2-(2-methoxypropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The canonical SMILES for 2-(2-methoxypropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is COC(C)Cc1nc(=S)c2c([nH]1)CCC2.
What is the InChIKey of 2-(2-methoxypropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The InChIKey is SLTKUXUGUDJWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-7(14-2)6-10-12-9-5-3-4-8(9)11(15)13-10/h7H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 2-(2-methoxypropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
2-(2-methoxypropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione has a molecular weight of 224.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is sourced from PubChem (CID 106477464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).