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

C9H12N2OS2 — CID 106481738

IUPAC2-(2-methoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCOCCc1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C9H12N2OS2/c1-12-3-2-8-10-7-5-14-4-6(7)9(13)11-8/h2-5H2,1H3,(H,10,11,13)
InChIKeyRAXYUVPSDDNSHO-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.07
Rot. Bonds3

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

2-(2-methoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481738) has the molecular formula C9H12N2OS2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(2-methoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481738
Molecular FormulaC9H12N2OS2
Molecular Weight228.34 g/mol
Exact Mass228.04
IUPAC Name2-(2-methoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCOCCc1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C9H12N2OS2/c1-12-3-2-8-10-7-5-14-4-6(7)9(13)11-8/h2-5H2,1H3,(H,10,11,13)
InChIKeyRAXYUVPSDDNSHO-UHFFFAOYSA-N
XLogP2.07
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481580
2-[2-(2,2-difluoroethoxy)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481581
2-(2-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476768
2-tert-butyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481536
2-propyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481557
2-(propoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481563
2-(3-methoxypropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481566
2-propan-2-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481582
2-(1-ethoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481622
2-(1-ethoxypropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481632
2-(propan-2-ylsulfanylmethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481656
2-(2-methoxypropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481673

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-(2-methoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481738) is 2-(2-methoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-(2-methoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-(2-methoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is COCCc1nc(=S)c2c([nH]1)CSC2.
What is the InChIKey of 2-(2-methoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is RAXYUVPSDDNSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS2/c1-12-3-2-8-10-7-5-14-4-6(7)9(13)11-8/h2-5H2,1H3,(H,10,11,13).
What are the key properties of 2-(2-methoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-(2-methoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 228.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).