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

C7H8N2S2 — CID 106481535

IUPAC2-methyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCc1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C7H8N2S2/c1-4-8-6-3-11-2-5(6)7(10)9-4/h2-3H2,1H3,(H,8,9,10)
InChIKeyMZHNJPXLKGAWEI-UHFFFAOYSA-N
MW184.29 g/mol
LogP2.19
Rot. Bonds

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

2-methyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481535) has the molecular formula C7H8N2S2 and a molecular weight of 184.29 g/mol. Its IUPAC name is 2-methyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-methyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481535
Molecular FormulaC7H8N2S2
Molecular Weight184.29 g/mol
Exact Mass184.01
IUPAC Name2-methyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCc1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C7H8N2S2/c1-4-8-6-3-11-2-5(6)7(10)9-4/h2-3H2,1H3,(H,8,9,10)
InChIKeyMZHNJPXLKGAWEI-UHFFFAOYSA-N
XLogP2.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-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-(3,3,3-trifluoropropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481587
2-(cyclopentylsulfanylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476590
5,6-dimethyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106476695
2-(tert-butylsulfanylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476696
2-(cyclohexylsulfanylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476698
5,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106476774
5,6-dimethyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione
CID 106476780
5,6-dimethyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106476797
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-(ethylsulfanylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476809
2-(1,4-dithian-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476812

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-methyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481535) is 2-methyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-methyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-methyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is Cc1nc(=S)c2c([nH]1)CSC2.
What is the InChIKey of 2-methyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is MZHNJPXLKGAWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S2/c1-4-8-6-3-11-2-5(6)7(10)9-4/h2-3H2,1H3,(H,8,9,10).
What are the key properties of 2-methyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-methyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 184.29 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).