4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine

C21H26N4OS2 — CID 25489445

IUPAC4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
SMILESCC1CCN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)CC1
InChIInChI=1S/C21H26N4OS2/c1-15-4-6-25(7-5-15)20-19-16(17-3-2-12-27-17)14-28-21(19)23-18(22-20)13-24-8-10-26-11-9-24/h2-3,12,14-15H,4-11,13H2,1H3
InChIKeyKJNFAELFYQBFFD-UHFFFAOYSA-N
MW414.60 g/mol
LogP4.49
Rot. Bonds4

About 4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine

4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine (PubChem CID 25489445) has the molecular formula C21H26N4OS2 and a molecular weight of 414.60 g/mol. Its IUPAC name is 4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
PubChem CID25489445
Molecular FormulaC21H26N4OS2
Molecular Weight414.60 g/mol
Exact Mass414.15
IUPAC Name4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
SMILESCC1CCN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)CC1
InChIInChI=1S/C21H26N4OS2/c1-15-4-6-25(7-5-15)20-19-16(17-3-2-12-27-17)14-28-21(19)23-18(22-20)13-24-8-10-26-11-9-24/h2-3,12,14-15H,4-11,13H2,1H3
InChIKeyKJNFAELFYQBFFD-UHFFFAOYSA-N
XLogP4.49
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.60
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine (CID 25489445) is 4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine is CC1CCN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)CC1.
What is the InChIKey of 4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The InChIKey is KJNFAELFYQBFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS2/c1-15-4-6-25(7-5-15)20-19-16(17-3-2-12-27-17)14-28-21(19)23-18(22-20)13-24-8-10-26-11-9-24/h2-3,12,14-15H,4-11,13H2,1H3.
What are the key properties of 4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine has a molecular weight of 414.60 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine is sourced from PubChem (CID 25489445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).