(2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one

C17H22N4O2S — CID 129478869

IUPAC(2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1)c1cccs1
InChIInChI=1S/C17H22N4O2S/c1-12(15-5-4-10-24-15)16(22)21-8-9-23-14(11-21)13-6-7-18-17(19-13)20(2)3/h4-7,10,12,14H,8-9,11H2,1-3H3/t12-,14+/m1/s1
InChIKeyQCAXKWOCKJJGQU-OCCSQVGLSA-N
MW346.46 g/mol
LogP2.31
Rot. Bonds4

About (2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one

(2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one (PubChem CID 129478869) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
PubChem CID129478869
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name(2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1)c1cccs1
InChIInChI=1S/C17H22N4O2S/c1-12(15-5-4-10-24-15)16(22)21-8-9-23-14(11-21)13-6-7-18-17(19-13)20(2)3/h4-7,10,12,14H,8-9,11H2,1-3H3/t12-,14+/m1/s1
InChIKeyQCAXKWOCKJJGQU-OCCSQVGLSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one with MolForge

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Related Compounds

(2R)-1-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
CID 129340939
1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one
CID 129479017
(2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide
CID 129492360
[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 129332793
(2R)-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
CID 129339581
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-pyrrol-3-yl)methanone
CID 128964952
[(1R,2S)-2-cyclopropylcyclopropyl]-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 129341565
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 129477542
(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)morpholine-4-carboxamide
CID 129478043
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 129478934
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 129328387
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-thiophen-2-ylmethanone
CID 124997234

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one?
The IUPAC name of (2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one (CID 129478869) is (2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one.
What is the SMILES notation for (2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one?
The canonical SMILES for (2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one is C[C@@H](C(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1)c1cccs1.
What is the InChIKey of (2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one?
The InChIKey is QCAXKWOCKJJGQU-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-12(15-5-4-10-24-15)16(22)21-8-9-23-14(11-21)13-6-7-18-17(19-13)20(2)3/h4-7,10,12,14H,8-9,11H2,1-3H3/t12-,14+/m1/s1.
What are the key properties of (2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one?
(2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one has a molecular weight of 346.46 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 129478869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).