7-methyl-6,7-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione

C7H8N2O2S — CID 10442383

IUPAC7-methyl-6,7-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCC1CSc2c1[nH]c(=O)[nH]c2=O
InChIInChI=1S/C7H8N2O2S/c1-3-2-12-5-4(3)8-7(11)9-6(5)10/h3H,2H2,1H3,(H2,8,9,10,11)
InChIKeyGGNNODHPIYFMNX-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.27
Rot. Bonds

About 7-methyl-6,7-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione

7-methyl-6,7-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 10442383) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 7-methyl-6,7-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-methyl-6,7-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID10442383
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name7-methyl-6,7-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCC1CSc2c1[nH]c(=O)[nH]c2=O
InChIInChI=1S/C7H8N2O2S/c1-3-2-12-5-4(3)8-7(11)9-6(5)10/h3H,2H2,1H3,(H2,8,9,10,11)
InChIKeyGGNNODHPIYFMNX-UHFFFAOYSA-N
XLogP0.27
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6,7-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 7-methyl-6,7-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 10442383) is 7-methyl-6,7-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-methyl-6,7-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-methyl-6,7-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione is CC1CSc2c1[nH]c(=O)[nH]c2=O.
What is the InChIKey of 7-methyl-6,7-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is GGNNODHPIYFMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-3-2-12-5-4(3)8-7(11)9-6(5)10/h3H,2H2,1H3,(H2,8,9,10,11).
What are the key properties of 7-methyl-6,7-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione?
7-methyl-6,7-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 184.22 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6,7-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10442383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).