4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine

C13H16ClN3OS — CID 62187399

IUPAC4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2nc(Cl)c3ccsc3n2)CC(C)O1
InChIInChI=1S/C13H16ClN3OS/c1-8-5-17(6-9(2)18-8)7-11-15-12(14)10-3-4-19-13(10)16-11/h3-4,8-9H,5-7H2,1-2H3
InChIKeyJPUXFYPPUMVTLN-UHFFFAOYSA-N
MW297.81 g/mol
LogP2.95
Rot. Bonds2

About 4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine

4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine (PubChem CID 62187399) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is 4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine
PubChem CID62187399
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2nc(Cl)c3ccsc3n2)CC(C)O1
InChIInChI=1S/C13H16ClN3OS/c1-8-5-17(6-9(2)18-8)7-11-15-12(14)10-3-4-19-13(10)16-11/h3-4,8-9H,5-7H2,1-2H3
InChIKeyJPUXFYPPUMVTLN-UHFFFAOYSA-N
XLogP2.95
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine (CID 62187399) is 4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine is CC1CN(Cc2nc(Cl)c3ccsc3n2)CC(C)O1.
What is the InChIKey of 4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine?
The InChIKey is JPUXFYPPUMVTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-8-5-17(6-9(2)18-8)7-11-15-12(14)10-3-4-19-13(10)16-11/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine?
4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine has a molecular weight of 297.81 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 62187399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).