(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine

C13H17N3OS — CID 31540398

IUPAC(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine
SMILESCCc1cc2c(N3CCO[C@@H](C)C3)ncnc2s1
InChIInChI=1S/C13H17N3OS/c1-3-10-6-11-12(14-8-15-13(11)18-10)16-4-5-17-9(2)7-16/h6,8-9H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyQZNHFKJFKMLLBG-VIFPVBQESA-N
MW263.37 g/mol
LogP2.48
Rot. Bonds2

About (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine

(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine (PubChem CID 31540398) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine.

Molecular Properties

Compound Name(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine
PubChem CID31540398
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine
SMILESCCc1cc2c(N3CCO[C@@H](C)C3)ncnc2s1
InChIInChI=1S/C13H17N3OS/c1-3-10-6-11-12(14-8-15-13(11)18-10)16-4-5-17-9(2)7-16/h6,8-9H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyQZNHFKJFKMLLBG-VIFPVBQESA-N
XLogP2.48
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine?
The IUPAC name of (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine (CID 31540398) is (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine.
What is the SMILES notation for (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine?
The canonical SMILES for (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine is CCc1cc2c(N3CCO[C@@H](C)C3)ncnc2s1.
What is the InChIKey of (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine?
The InChIKey is QZNHFKJFKMLLBG-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-10-6-11-12(14-8-15-13(11)18-10)16-4-5-17-9(2)7-16/h6,8-9H,3-5,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine?
(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine has a molecular weight of 263.37 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine is sourced from PubChem (CID 31540398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).