3-(1-aminopropan-2-yl)-6-ethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

C11H15N3O2S — CID 82342009

IUPAC3-(1-aminopropan-2-yl)-6-ethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cc2c(=O)n(C(C)CN)c(=O)[nH]c2s1
InChIInChI=1S/C11H15N3O2S/c1-3-7-4-8-9(17-7)13-11(16)14(10(8)15)6(2)5-12/h4,6H,3,5,12H2,1-2H3,(H,13,16)
InChIKeyWTSSMDRXXGBVAA-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.83
Rot. Bonds3

About 3-(1-aminopropan-2-yl)-6-ethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

3-(1-aminopropan-2-yl)-6-ethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 82342009) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-(1-aminopropan-2-yl)-6-ethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(1-aminopropan-2-yl)-6-ethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID82342009
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name3-(1-aminopropan-2-yl)-6-ethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cc2c(=O)n(C(C)CN)c(=O)[nH]c2s1
InChIInChI=1S/C11H15N3O2S/c1-3-7-4-8-9(17-7)13-11(16)14(10(8)15)6(2)5-12/h4,6H,3,5,12H2,1-2H3,(H,13,16)
InChIKeyWTSSMDRXXGBVAA-UHFFFAOYSA-N
XLogP0.83
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-yl)-6-ethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(1-aminopropan-2-yl)-6-ethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 82342009) is 3-(1-aminopropan-2-yl)-6-ethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(1-aminopropan-2-yl)-6-ethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(1-aminopropan-2-yl)-6-ethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is CCc1cc2c(=O)n(C(C)CN)c(=O)[nH]c2s1.
What is the InChIKey of 3-(1-aminopropan-2-yl)-6-ethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WTSSMDRXXGBVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-3-7-4-8-9(17-7)13-11(16)14(10(8)15)6(2)5-12/h4,6H,3,5,12H2,1-2H3,(H,13,16).
What are the key properties of 3-(1-aminopropan-2-yl)-6-ethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
3-(1-aminopropan-2-yl)-6-ethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 253.33 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-yl)-6-ethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 82342009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).