5,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one

C14H17N3O3S2 — CID 674097

IUPAC5,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(SCC(=O)N3CCOCC3)[nH]c(=O)c2c1C
InChIInChI=1S/C14H17N3O3S2/c1-8-9(2)22-13-11(8)12(19)15-14(16-13)21-7-10(18)17-3-5-20-6-4-17/h3-7H2,1-2H3,(H,15,16,19)
InChIKeyUEOWPADQYCKGFD-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.55
Rot. Bonds3

About 5,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 674097) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID674097
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name5,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(SCC(=O)N3CCOCC3)[nH]c(=O)c2c1C
InChIInChI=1S/C14H17N3O3S2/c1-8-9(2)22-13-11(8)12(19)15-14(16-13)21-7-10(18)17-3-5-20-6-4-17/h3-7H2,1-2H3,(H,15,16,19)
InChIKeyUEOWPADQYCKGFD-UHFFFAOYSA-N
XLogP1.55
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 674097) is 5,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(SCC(=O)N3CCOCC3)[nH]c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is UEOWPADQYCKGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-8-9(2)22-13-11(8)12(19)15-14(16-13)21-7-10(18)17-3-5-20-6-4-17/h3-7H2,1-2H3,(H,15,16,19).
What are the key properties of 5,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 339.44 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 674097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).