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

C12H19N3S2 — CID 106481640

IUPAC2-[2-(diethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCCN(CC)CCc1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C12H19N3S2/c1-3-15(4-2)6-5-11-13-10-8-17-7-9(10)12(16)14-11/h3-8H2,1-2H3,(H,13,14,16)
InChIKeyFSVOWUUUUIXEDT-UHFFFAOYSA-N
MW269.44 g/mol
LogP2.77
Rot. Bonds5

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

2-[2-(diethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481640) has the molecular formula C12H19N3S2 and a molecular weight of 269.44 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481640
Molecular FormulaC12H19N3S2
Molecular Weight269.44 g/mol
Exact Mass269.10
IUPAC Name2-[2-(diethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCCN(CC)CCc1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C12H19N3S2/c1-3-15(4-2)6-5-11-13-10-8-17-7-9(10)12(16)14-11/h3-8H2,1-2H3,(H,13,14,16)
InChIKeyFSVOWUUUUIXEDT-UHFFFAOYSA-N
XLogP2.77
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 52.77
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

5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
CID 106476601
2-[2-(diethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476684
2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476703
5,6-dimethyl-2-(propylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106476807
2-(butan-2-ylsulfanylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476808
2-methyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481535
2-tert-butyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481536
2-(4-methylthiomorpholin-3-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481555
2-propyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481557
2-propan-2-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481582
2-(propan-2-ylsulfanylmethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481656
2-(tert-butylsulfanylmethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481657

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-[2-(diethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481640) is 2-[2-(diethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is CCN(CC)CCc1nc(=S)c2c([nH]1)CSC2.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is FSVOWUUUUIXEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S2/c1-3-15(4-2)6-5-11-13-10-8-17-7-9(10)12(16)14-11/h3-8H2,1-2H3,(H,13,14,16).
What are the key properties of 2-[2-(diethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-[2-(diethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 269.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).