3-methyl-4-thieno[2,3-d]pyrimidin-4-ylmorpholine

C11H13N3OS — CID 47170431

IUPAC3-methyl-4-thieno[2,3-d]pyrimidin-4-ylmorpholine
SMILESCC1COCCN1c1ncnc2sccc12
InChIInChI=1S/C11H13N3OS/c1-8-6-15-4-3-14(8)10-9-2-5-16-11(9)13-7-12-10/h2,5,7-8H,3-4,6H2,1H3
InChIKeyPUCBCKLAOWCMSE-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.92
Rot. Bonds1

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

3-methyl-4-thieno[2,3-d]pyrimidin-4-ylmorpholine (PubChem CID 47170431) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-methyl-4-thieno[2,3-d]pyrimidin-4-ylmorpholine.

Molecular Properties

Compound Name3-methyl-4-thieno[2,3-d]pyrimidin-4-ylmorpholine
PubChem CID47170431
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name3-methyl-4-thieno[2,3-d]pyrimidin-4-ylmorpholine
SMILESCC1COCCN1c1ncnc2sccc12
InChIInChI=1S/C11H13N3OS/c1-8-6-15-4-3-14(8)10-9-2-5-16-11(9)13-7-12-10/h2,5,7-8H,3-4,6H2,1H3
InChIKeyPUCBCKLAOWCMSE-UHFFFAOYSA-N
XLogP1.92
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-thieno[2,3-d]pyrimidin-4-ylmorpholine?
The IUPAC name of 3-methyl-4-thieno[2,3-d]pyrimidin-4-ylmorpholine (CID 47170431) is 3-methyl-4-thieno[2,3-d]pyrimidin-4-ylmorpholine.
What is the SMILES notation for 3-methyl-4-thieno[2,3-d]pyrimidin-4-ylmorpholine?
The canonical SMILES for 3-methyl-4-thieno[2,3-d]pyrimidin-4-ylmorpholine is CC1COCCN1c1ncnc2sccc12.
What is the InChIKey of 3-methyl-4-thieno[2,3-d]pyrimidin-4-ylmorpholine?
The InChIKey is PUCBCKLAOWCMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-6-15-4-3-14(8)10-9-2-5-16-11(9)13-7-12-10/h2,5,7-8H,3-4,6H2,1H3.
What are the key properties of 3-methyl-4-thieno[2,3-d]pyrimidin-4-ylmorpholine?
3-methyl-4-thieno[2,3-d]pyrimidin-4-ylmorpholine has a molecular weight of 235.31 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-thieno[2,3-d]pyrimidin-4-ylmorpholine is sourced from PubChem (CID 47170431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).