7-methyl-3-(2-thiomorpholin-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione

C13H17N3O2S2 — CID 2732865

IUPAC7-methyl-3-(2-thiomorpholin-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1csc2c(=O)n(CCN3CCSCC3)c(=O)[nH]c12
InChIInChI=1S/C13H17N3O2S2/c1-9-8-20-11-10(9)14-13(18)16(12(11)17)3-2-15-4-6-19-7-5-15/h8H,2-7H2,1H3,(H,14,18)
InChIKeyFUFLVMAGWSQQIP-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.11
Rot. Bonds3

About 7-methyl-3-(2-thiomorpholin-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione

7-methyl-3-(2-thiomorpholin-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 2732865) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 7-methyl-3-(2-thiomorpholin-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-methyl-3-(2-thiomorpholin-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID2732865
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name7-methyl-3-(2-thiomorpholin-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1csc2c(=O)n(CCN3CCSCC3)c(=O)[nH]c12
InChIInChI=1S/C13H17N3O2S2/c1-9-8-20-11-10(9)14-13(18)16(12(11)17)3-2-15-4-6-19-7-5-15/h8H,2-7H2,1H3,(H,14,18)
InChIKeyFUFLVMAGWSQQIP-UHFFFAOYSA-N
XLogP1.11
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-thiomorpholin-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 7-methyl-3-(2-thiomorpholin-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 2732865) is 7-methyl-3-(2-thiomorpholin-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-methyl-3-(2-thiomorpholin-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-methyl-3-(2-thiomorpholin-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is Cc1csc2c(=O)n(CCN3CCSCC3)c(=O)[nH]c12.
What is the InChIKey of 7-methyl-3-(2-thiomorpholin-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is FUFLVMAGWSQQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-9-8-20-11-10(9)14-13(18)16(12(11)17)3-2-15-4-6-19-7-5-15/h8H,2-7H2,1H3,(H,14,18).
What are the key properties of 7-methyl-3-(2-thiomorpholin-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
7-methyl-3-(2-thiomorpholin-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 311.43 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-thiomorpholin-4-ylethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2732865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).