4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine

C15H19N3OS — CID 133472437

IUPAC4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine
SMILESCCc1cc(N2CCOC(c3ccsc3)C2)nc(C)n1
InChIInChI=1S/C15H19N3OS/c1-3-13-8-15(17-11(2)16-13)18-5-6-19-14(9-18)12-4-7-20-10-12/h4,7-8,10,14H,3,5-6,9H2,1-2H3
InChIKeyXGYOBJMYJMSNBF-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.99
Rot. Bonds3

About 4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine

4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine (PubChem CID 133472437) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine.

Molecular Properties

Compound Name4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine
PubChem CID133472437
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine
SMILESCCc1cc(N2CCOC(c3ccsc3)C2)nc(C)n1
InChIInChI=1S/C15H19N3OS/c1-3-13-8-15(17-11(2)16-13)18-5-6-19-14(9-18)12-4-7-20-10-12/h4,7-8,10,14H,3,5-6,9H2,1-2H3
InChIKeyXGYOBJMYJMSNBF-UHFFFAOYSA-N
XLogP2.99
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine?
The IUPAC name of 4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine (CID 133472437) is 4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine.
What is the SMILES notation for 4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine?
The canonical SMILES for 4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine is CCc1cc(N2CCOC(c3ccsc3)C2)nc(C)n1.
What is the InChIKey of 4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine?
The InChIKey is XGYOBJMYJMSNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-13-8-15(17-11(2)16-13)18-5-6-19-14(9-18)12-4-7-20-10-12/h4,7-8,10,14H,3,5-6,9H2,1-2H3.
What are the key properties of 4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine?
4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine has a molecular weight of 289.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine is sourced from PubChem (CID 133472437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).