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

C8H10N2OS2 — CID 106481766

IUPAC2-(methoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCOCc1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C8H10N2OS2/c1-11-2-7-9-6-4-13-3-5(6)8(12)10-7/h2-4H2,1H3,(H,9,10,12)
InChIKeyLMCCYNXUDHWYKM-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.03
Rot. Bonds2

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

2-(methoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481766) has the molecular formula C8H10N2OS2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(methoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(methoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481766
Molecular FormulaC8H10N2OS2
Molecular Weight214.31 g/mol
Exact Mass214.02
IUPAC Name2-(methoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCOCc1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C8H10N2OS2/c1-11-2-7-9-6-4-13-3-5(6)8(12)10-7/h2-4H2,1H3,(H,9,10,12)
InChIKeyLMCCYNXUDHWYKM-UHFFFAOYSA-N
XLogP2.03
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.03
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-(methoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-(methoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481766) is 2-(methoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-(methoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-(methoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is COCc1nc(=S)c2c([nH]1)CSC2.
What is the InChIKey of 2-(methoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is LMCCYNXUDHWYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS2/c1-11-2-7-9-6-4-13-3-5(6)8(12)10-7/h2-4H2,1H3,(H,9,10,12).
What are the key properties of 2-(methoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-(methoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 214.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).