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

C9H13N3S2 — CID 106481699

IUPAC2-[(dimethylamino)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCN(C)Cc1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C9H13N3S2/c1-12(2)3-8-10-7-5-14-4-6(7)9(13)11-8/h3-5H2,1-2H3,(H,10,11,13)
InChIKeyGSOKDDPQRZXHDV-UHFFFAOYSA-N
MW227.36 g/mol
LogP1.95
Rot. Bonds2

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

2-[(dimethylamino)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481699) has the molecular formula C9H13N3S2 and a molecular weight of 227.36 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481699
Molecular FormulaC9H13N3S2
Molecular Weight227.36 g/mol
Exact Mass227.06
IUPAC Name2-[(dimethylamino)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCN(C)Cc1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C9H13N3S2/c1-12(2)3-8-10-7-5-14-4-6(7)9(13)11-8/h3-5H2,1-2H3,(H,10,11,13)
InChIKeyGSOKDDPQRZXHDV-UHFFFAOYSA-N
XLogP1.95
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
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

5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
CID 106476601
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-(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-[2-(dimethylamino)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481665
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-[(dimethylamino)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-[(dimethylamino)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481699) is 2-[(dimethylamino)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-[(dimethylamino)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-[(dimethylamino)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is CN(C)Cc1nc(=S)c2c([nH]1)CSC2.
What is the InChIKey of 2-[(dimethylamino)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is GSOKDDPQRZXHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S2/c1-12(2)3-8-10-7-5-14-4-6(7)9(13)11-8/h3-5H2,1-2H3,(H,10,11,13).
What are the key properties of 2-[(dimethylamino)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-[(dimethylamino)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 227.36 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).