4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine

C15H19N3O2S — CID 133490501

IUPAC4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
SMILESCCOc1cc(N2CC(C)OC(c3ccsc3)C2)ncn1
InChIInChI=1S/C15H19N3O2S/c1-3-19-15-6-14(16-10-17-15)18-7-11(2)20-13(8-18)12-4-5-21-9-12/h4-6,9-11,13H,3,7-8H2,1-2H3
InChIKeyAXPRLOLUBPVJEM-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.90
Rot. Bonds4

About 4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine

4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine (PubChem CID 133490501) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine.

Molecular Properties

Compound Name4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
PubChem CID133490501
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
SMILESCCOc1cc(N2CC(C)OC(c3ccsc3)C2)ncn1
InChIInChI=1S/C15H19N3O2S/c1-3-19-15-6-14(16-10-17-15)18-7-11(2)20-13(8-18)12-4-5-21-9-12/h4-6,9-11,13H,3,7-8H2,1-2H3
InChIKeyAXPRLOLUBPVJEM-UHFFFAOYSA-N
XLogP2.90
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine
CID 133379222
6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile
CID 99778550
(2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine
CID 99107655
4-(2,6-dimethylpyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133379218
(2S,6R)-4-(5-fluoro-2-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine
CID 124851478
2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine
CID 133379191
4-(6-fluoroquinazolin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133379376
(2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine
CID 99716093
[6-methyl-4-(6-propoxypyrimidin-4-yl)morpholin-2-yl]methanamine
CID 102938720
2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-3-sulfonamide
CID 133379318
2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133379346
N-benzyl-4-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxamide
CID 133379384

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine?
The IUPAC name of 4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine (CID 133490501) is 4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine.
What is the SMILES notation for 4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine?
The canonical SMILES for 4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine is CCOc1cc(N2CC(C)OC(c3ccsc3)C2)ncn1.
What is the InChIKey of 4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine?
The InChIKey is AXPRLOLUBPVJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-19-15-6-14(16-10-17-15)18-7-11(2)20-13(8-18)12-4-5-21-9-12/h4-6,9-11,13H,3,7-8H2,1-2H3.
What are the key properties of 4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine?
4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine has a molecular weight of 305.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine is sourced from PubChem (CID 133490501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).