2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone

C14H17N3O2S2 — CID 705250

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCc1sc2ncnc(SCC(=O)N3CCOCC3)c2c1C
InChIInChI=1S/C14H17N3O2S2/c1-9-10(2)21-14-12(9)13(15-8-16-14)20-7-11(18)17-3-5-19-6-4-17/h8H,3-7H2,1-2H3
InChIKeyVJCJBMMSTUZYRY-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.26
Rot. Bonds3

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 705250) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID705250
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCc1sc2ncnc(SCC(=O)N3CCOCC3)c2c1C
InChIInChI=1S/C14H17N3O2S2/c1-9-10(2)21-14-12(9)13(15-8-16-14)20-7-11(18)17-3-5-19-6-4-17/h8H,3-7H2,1-2H3
InChIKeyVJCJBMMSTUZYRY-UHFFFAOYSA-N
XLogP2.26
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone (CID 705250) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone is Cc1sc2ncnc(SCC(=O)N3CCOCC3)c2c1C.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is VJCJBMMSTUZYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-9-10(2)21-14-12(9)13(15-8-16-14)20-7-11(18)17-3-5-19-6-4-17/h8H,3-7H2,1-2H3.
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 323.44 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 705250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).