1-[2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)azetidin-1-yl]ethanone

C14H20N4OS — CID 110271802

IUPAC1-[2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CCC1c1cc(N2CCSCC2)nc(C)n1
InChIInChI=1S/C14H20N4OS/c1-10-15-12(13-3-4-18(13)11(2)19)9-14(16-10)17-5-7-20-8-6-17/h9,13H,3-8H2,1-2H3
InChIKeyNSKNLUHCFNUBCV-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.63
Rot. Bonds2

About 1-[2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)azetidin-1-yl]ethanone

1-[2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)azetidin-1-yl]ethanone (PubChem CID 110271802) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-[2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)azetidin-1-yl]ethanone
PubChem CID110271802
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-[2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CCC1c1cc(N2CCSCC2)nc(C)n1
InChIInChI=1S/C14H20N4OS/c1-10-15-12(13-3-4-18(13)11(2)19)9-14(16-10)17-5-7-20-8-6-17/h9,13H,3-8H2,1-2H3
InChIKeyNSKNLUHCFNUBCV-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone
CID 95847455
(4-fluorophenyl)-[(2S)-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)azetidin-1-yl]methanone
CID 95847413
(4-fluorophenyl)-[(2R)-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)azetidin-1-yl]methanone
CID 95847414
1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110101187
1-[(2S)-2-[6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone
CID 95847449
1-[2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110101313
1-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperidin-4-ol
CID 110271366
1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 124970677
3-[6-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]benzoic acid
CID 110120260
1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 126430096
1-[(2R)-2-[2-methyl-6-[(1-methylimidazol-2-yl)methylamino]pyrimidin-4-yl]azetidin-1-yl]ethanone
CID 95846739
1-[2-[6-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone
CID 110271804

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)azetidin-1-yl]ethanone (CID 110271802) is 1-[2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)azetidin-1-yl]ethanone is CC(=O)N1CCC1c1cc(N2CCSCC2)nc(C)n1.
What is the InChIKey of 1-[2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)azetidin-1-yl]ethanone?
The InChIKey is NSKNLUHCFNUBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10-15-12(13-3-4-18(13)11(2)19)9-14(16-10)17-5-7-20-8-6-17/h9,13H,3-8H2,1-2H3.
What are the key properties of 1-[2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)azetidin-1-yl]ethanone?
1-[2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)azetidin-1-yl]ethanone has a molecular weight of 292.41 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 110271802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).