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

C10H15N3S2 — CID 106481685

IUPAC2-(diethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCCN(CC)c1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C10H15N3S2/c1-3-13(4-2)10-11-8-6-15-5-7(8)9(14)12-10/h3-6H2,1-2H3,(H,11,12,14)
InChIKeyLXXVWCJAQZWZGP-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.73
Rot. Bonds3

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

2-(diethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481685) has the molecular formula C10H15N3S2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(diethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(diethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481685
Molecular FormulaC10H15N3S2
Molecular Weight241.38 g/mol
Exact Mass241.07
IUPAC Name2-(diethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCCN(CC)c1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C10H15N3S2/c1-3-13(4-2)10-11-8-6-15-5-7(8)9(14)12-10/h3-6H2,1-2H3,(H,11,12,14)
InChIKeyLXXVWCJAQZWZGP-UHFFFAOYSA-N
XLogP2.73
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(diethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(dimethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481559
2-piperidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481560
2-[2-(dimethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481665
2-[(dimethylamino)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481699

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-(diethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481685) is 2-(diethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-(diethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-(diethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is CCN(CC)c1nc(=S)c2c([nH]1)CSC2.
What is the InChIKey of 2-(diethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is LXXVWCJAQZWZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S2/c1-3-13(4-2)10-11-8-6-15-5-7(8)9(14)12-10/h3-6H2,1-2H3,(H,11,12,14).
What are the key properties of 2-(diethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-(diethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 241.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).