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

C10H15N3S2 — CID 106481665

IUPAC2-[2-(dimethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCN(C)CCc1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C10H15N3S2/c1-13(2)4-3-9-11-8-6-15-5-7(8)10(14)12-9/h3-6H2,1-2H3,(H,11,12,14)
InChIKeyXWQMMMKWBKFDDW-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.99
Rot. Bonds3

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

2-[2-(dimethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481665) has the molecular formula C10H15N3S2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481665
Molecular FormulaC10H15N3S2
Molecular Weight241.38 g/mol
Exact Mass241.07
IUPAC Name2-[2-(dimethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCN(C)CCc1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C10H15N3S2/c1-13(2)4-3-9-11-8-6-15-5-7(8)10(14)12-9/h3-6H2,1-2H3,(H,11,12,14)
InChIKeyXWQMMMKWBKFDDW-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
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-(1,4-dithian-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476812
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-(3-methyl-1,4-dithian-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481546
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-[2-(diethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481640
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
2-(1,4-dimethyl-1,4-diazepan-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481666

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481665) is 2-[2-(dimethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is CN(C)CCc1nc(=S)c2c([nH]1)CSC2.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is XWQMMMKWBKFDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S2/c1-13(2)4-3-9-11-8-6-15-5-7(8)10(14)12-9/h3-6H2,1-2H3,(H,11,12,14).
What are the key properties of 2-[2-(dimethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-[2-(dimethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 241.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).