2-(1-methoxycyclopentyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

C12H16N2OS2 — CID 106481551

IUPAC2-(1-methoxycyclopentyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCOC1(c2nc(=S)c3c([nH]2)CSC3)CCCC1
InChIInChI=1S/C12H16N2OS2/c1-15-12(4-2-3-5-12)11-13-9-7-17-6-8(9)10(16)14-11/h2-7H2,1H3,(H,13,14,16)
InChIKeyKEWRHVVLMMSSFE-UHFFFAOYSA-N
MW268.41 g/mol
LogP3.30
Rot. Bonds2

About 2-(1-methoxycyclopentyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

2-(1-methoxycyclopentyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481551) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481551
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC Name2-(1-methoxycyclopentyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCOC1(c2nc(=S)c3c([nH]2)CSC3)CCCC1
InChIInChI=1S/C12H16N2OS2/c1-15-12(4-2-3-5-12)11-13-9-7-17-6-8(9)10(16)14-11/h2-7H2,1H3,(H,13,14,16)
InChIKeyKEWRHVVLMMSSFE-UHFFFAOYSA-N
XLogP3.30
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxycyclopentyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-(1-methoxycyclopentyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481551) is 2-(1-methoxycyclopentyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-(1-methoxycyclopentyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is COC1(c2nc(=S)c3c([nH]2)CSC3)CCCC1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is KEWRHVVLMMSSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-15-12(4-2-3-5-12)11-13-9-7-17-6-8(9)10(16)14-11/h2-7H2,1H3,(H,13,14,16).
What are the key properties of 2-(1-methoxycyclopentyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-(1-methoxycyclopentyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 268.41 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).