6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine

C15H21N3O2S — CID 114775820

IUPAC6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine
SMILESCc1sc2ncnc(OCC3CNCC(C)(C)O3)c2c1C
InChIInChI=1S/C15H21N3O2S/c1-9-10(2)21-14-12(9)13(17-8-18-14)19-6-11-5-16-7-15(3,4)20-11/h8,11,16H,5-7H2,1-4H3
InChIKeySVNYMFJCXPUBCZ-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.45
Rot. Bonds3

About 6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine

6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine (PubChem CID 114775820) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine
PubChem CID114775820
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine
SMILESCc1sc2ncnc(OCC3CNCC(C)(C)O3)c2c1C
InChIInChI=1S/C15H21N3O2S/c1-9-10(2)21-14-12(9)13(17-8-18-14)19-6-11-5-16-7-15(3,4)20-11/h8,11,16H,5-7H2,1-4H3
InChIKeySVNYMFJCXPUBCZ-UHFFFAOYSA-N
XLogP2.45
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine?
The IUPAC name of 6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine (CID 114775820) is 6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine?
The canonical SMILES for 6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine is Cc1sc2ncnc(OCC3CNCC(C)(C)O3)c2c1C.
What is the InChIKey of 6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine?
The InChIKey is SVNYMFJCXPUBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-9-10(2)21-14-12(9)13(17-8-18-14)19-6-11-5-16-7-15(3,4)20-11/h8,11,16H,5-7H2,1-4H3.
What are the key properties of 6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine?
6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine has a molecular weight of 307.42 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 114775820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).