4-(2-benzylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine

C17H17N3OS2 — CID 1484672

IUPAC4-(2-benzylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine
SMILESc1ccc(CSc2nc(N3CCOCC3)c3sccc3n2)cc1
InChIInChI=1S/C17H17N3OS2/c1-2-4-13(5-3-1)12-23-17-18-14-6-11-22-15(14)16(19-17)20-7-9-21-10-8-20/h1-6,11H,7-10,12H2
InChIKeyGKMOTHISHLQILT-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.82
Rot. Bonds4

About 4-(2-benzylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine

4-(2-benzylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine (PubChem CID 1484672) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is 4-(2-benzylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-benzylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine
PubChem CID1484672
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC Name4-(2-benzylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine
SMILESc1ccc(CSc2nc(N3CCOCC3)c3sccc3n2)cc1
InChIInChI=1S/C17H17N3OS2/c1-2-4-13(5-3-1)12-23-17-18-14-6-11-22-15(14)16(19-17)20-7-9-21-10-8-20/h1-6,11H,7-10,12H2
InChIKeyGKMOTHISHLQILT-UHFFFAOYSA-N
XLogP3.82
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-benzylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine (CID 1484672) is 4-(2-benzylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-benzylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-benzylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine is c1ccc(CSc2nc(N3CCOCC3)c3sccc3n2)cc1.
What is the InChIKey of 4-(2-benzylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine?
The InChIKey is GKMOTHISHLQILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-2-4-13(5-3-1)12-23-17-18-14-6-11-22-15(14)16(19-17)20-7-9-21-10-8-20/h1-6,11H,7-10,12H2.
What are the key properties of 4-(2-benzylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine?
4-(2-benzylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine has a molecular weight of 343.48 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 1484672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).