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

C8H11N3S2 — CID 106481559

IUPAC2-(dimethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCN(C)c1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C8H11N3S2/c1-11(2)8-9-6-4-13-3-5(6)7(12)10-8/h3-4H2,1-2H3,(H,9,10,12)
InChIKeyHAAVYKWTLBGWFL-UHFFFAOYSA-N
MW213.33 g/mol
LogP1.95
Rot. Bonds1

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

2-(dimethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481559) has the molecular formula C8H11N3S2 and a molecular weight of 213.33 g/mol. Its IUPAC name is 2-(dimethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(dimethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481559
Molecular FormulaC8H11N3S2
Molecular Weight213.33 g/mol
Exact Mass213.04
IUPAC Name2-(dimethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCN(C)c1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C8H11N3S2/c1-11(2)8-9-6-4-13-3-5(6)7(12)10-8/h3-4H2,1-2H3,(H,9,10,12)
InChIKeyHAAVYKWTLBGWFL-UHFFFAOYSA-N
XLogP1.95
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 51.95
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-(4-methylpiperazin-1-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481533
2-pyrrolidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481534
2-(diethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481685

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-(dimethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481559) is 2-(dimethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-(dimethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-(dimethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is CN(C)c1nc(=S)c2c([nH]1)CSC2.
What is the InChIKey of 2-(dimethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is HAAVYKWTLBGWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S2/c1-11(2)8-9-6-4-13-3-5(6)7(12)10-8/h3-4H2,1-2H3,(H,9,10,12).
What are the key properties of 2-(dimethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-(dimethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 213.33 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).