2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine

C12H15N3OS — CID 2807675

IUPAC2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine
SMILESCC1CN(c2ncnc3ccsc23)CC(C)O1
InChIInChI=1S/C12H15N3OS/c1-8-5-15(6-9(2)16-8)12-11-10(3-4-17-11)13-7-14-12/h3-4,7-9H,5-6H2,1-2H3
InChIKeySVUFRCMCWNRJQQ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.30
Rot. Bonds1

About 2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine

2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine (PubChem CID 2807675) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine
PubChem CID2807675
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine
SMILESCC1CN(c2ncnc3ccsc23)CC(C)O1
InChIInChI=1S/C12H15N3OS/c1-8-5-15(6-9(2)16-8)12-11-10(3-4-17-11)13-7-14-12/h3-4,7-9H,5-6H2,1-2H3
InChIKeySVUFRCMCWNRJQQ-UHFFFAOYSA-N
XLogP2.30
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine?
The IUPAC name of 2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine (CID 2807675) is 2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine.
What is the SMILES notation for 2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine?
The canonical SMILES for 2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine is CC1CN(c2ncnc3ccsc23)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine?
The InChIKey is SVUFRCMCWNRJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-5-15(6-9(2)16-8)12-11-10(3-4-17-11)13-7-14-12/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine?
2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine has a molecular weight of 249.34 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine is sourced from PubChem (CID 2807675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).