3-hydroxy-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

C8H8N2O3S — CID 134815904

IUPAC3-hydroxy-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1sc2[nH]c(=O)n(O)c(=O)c2c1C
InChIInChI=1S/C8H8N2O3S/c1-3-4(2)14-6-5(3)7(11)10(13)8(12)9-6/h13H,1-2H3,(H,9,12)
InChIKeyJBTUJZWNKYXXKL-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.61
Rot. Bonds

About 3-hydroxy-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

3-hydroxy-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 134815904) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 3-hydroxy-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-hydroxy-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID134815904
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name3-hydroxy-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1sc2[nH]c(=O)n(O)c(=O)c2c1C
InChIInChI=1S/C8H8N2O3S/c1-3-4(2)14-6-5(3)7(11)10(13)8(12)9-6/h13H,1-2H3,(H,9,12)
InChIKeyJBTUJZWNKYXXKL-UHFFFAOYSA-N
XLogP0.61
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 134693782
5,6-Dibutyl-3-hydroxy-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 11020941
6-ethyl-6-methyl-5,8-dihydro-1H-thiopyrano[2,3]thieno[2,4-b]pyrimidine-2,4-dione
CID 657862
3-amino-5,6-dimethyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one
CID 826954
3-hydroxy-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 134815751
CID 134815905
CID 134815905
3-hydroxy-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 134816651
2-thioxo-2,3,5,6,7,8,9,10-octahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-4(1H)-one
CID 1520108
2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
CID 726062
2,3-Dihydro-5,6-dimethyl-3-(2-propen-1-yl)-2-thioxothieno(2,3-d)pyrimidin-4(1H)-one
CID 722257
2-({[(2,2-Dimethylpropanoyl)amino]carbonothioyl}amino)-4,5-dimethyl-3-thiophenecarboxamide
CID 2982169
5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 290241

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-hydroxy-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 134815904) is 3-hydroxy-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-hydroxy-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-hydroxy-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is Cc1sc2[nH]c(=O)n(O)c(=O)c2c1C.
What is the InChIKey of 3-hydroxy-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is JBTUJZWNKYXXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c1-3-4(2)14-6-5(3)7(11)10(13)8(12)9-6/h13H,1-2H3,(H,9,12).
What are the key properties of 3-hydroxy-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
3-hydroxy-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 212.23 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 134815904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).