2-[4-(2-tert-butylpyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol

C18H25N3O2S — CID 133347736

IUPAC2-[4-(2-tert-butylpyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol
SMILESCC(C)(C)c1nccc(N2CCOCC2CC(O)c2cccs2)n1
InChIInChI=1S/C18H25N3O2S/c1-18(2,3)17-19-7-6-16(20-17)21-8-9-23-12-13(21)11-14(22)15-5-4-10-24-15/h4-7,10,13-14,22H,8-9,11-12H2,1-3H3
InChIKeyFECYPSCNTZCIIY-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.16
Rot. Bonds4

About 2-[4-(2-tert-butylpyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol

2-[4-(2-tert-butylpyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol (PubChem CID 133347736) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-[4-(2-tert-butylpyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[4-(2-tert-butylpyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol
PubChem CID133347736
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name2-[4-(2-tert-butylpyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol
SMILESCC(C)(C)c1nccc(N2CCOCC2CC(O)c2cccs2)n1
InChIInChI=1S/C18H25N3O2S/c1-18(2,3)17-19-7-6-16(20-17)21-8-9-23-12-13(21)11-14(22)15-5-4-10-24-15/h4-7,10,13-14,22H,8-9,11-12H2,1-3H3
InChIKeyFECYPSCNTZCIIY-UHFFFAOYSA-N
XLogP3.16
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyrazine-2-carbonitrile
CID 133485968
3-chloro-6-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyridine-2-carbonitrile
CID 133347824
1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol
CID 133419303
2-[4-(1,3-benzothiazol-2-yl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 133347732
2-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 133347782
(1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 124734755
2-[4-(3-bromo-5-nitro-2-pyridinyl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 133347831
(2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one
CID 122140829
2-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
CID 111976076
2-[4-(2-ethylsulfanylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 111976091
[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone
CID 110011953
2-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]-1-phenylethanol
CID 133388459

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-tert-butylpyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[4-(2-tert-butylpyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol (CID 133347736) is 2-[4-(2-tert-butylpyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[4-(2-tert-butylpyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[4-(2-tert-butylpyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol is CC(C)(C)c1nccc(N2CCOCC2CC(O)c2cccs2)n1.
What is the InChIKey of 2-[4-(2-tert-butylpyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol?
The InChIKey is FECYPSCNTZCIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-18(2,3)17-19-7-6-16(20-17)21-8-9-23-12-13(21)11-14(22)15-5-4-10-24-15/h4-7,10,13-14,22H,8-9,11-12H2,1-3H3.
What are the key properties of 2-[4-(2-tert-butylpyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol?
2-[4-(2-tert-butylpyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol has a molecular weight of 347.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-tert-butylpyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol is sourced from PubChem (CID 133347736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).