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

C13H20N4O2 — CID 129479017

IUPAC1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one
SMILESCCC(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1
InChIInChI=1S/C13H20N4O2/c1-4-12(18)17-7-8-19-11(9-17)10-5-6-14-13(15-10)16(2)3/h5-6,11H,4,7-9H2,1-3H3/t11-/m0/s1
InChIKeyYGBFYOHDIOUREW-NSHDSACASA-N
MW264.33 g/mol
LogP0.85
Rot. Bonds3

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

1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one (PubChem CID 129479017) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one
PubChem CID129479017
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one
SMILESCCC(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1
InChIInChI=1S/C13H20N4O2/c1-4-12(18)17-7-8-19-11(9-17)10-5-6-14-13(15-10)16(2)3/h5-6,11H,4,7-9H2,1-3H3/t11-/m0/s1
InChIKeyYGBFYOHDIOUREW-NSHDSACASA-N
XLogP0.85
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one
CID 129478782
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone
CID 128971349
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone
CID 128964972
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 128974121
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide
CID 129341058
[(1R,2S)-2-cyclopropylcyclopropyl]-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 129341565
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-pyrrol-3-yl)methanone
CID 128964952
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 129477542
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
CID 129473669
(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

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one?
The IUPAC name of 1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one (CID 129479017) is 1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one is CCC(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1.
What is the InChIKey of 1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one?
The InChIKey is YGBFYOHDIOUREW-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-12(18)17-7-8-19-11(9-17)10-5-6-14-13(15-10)16(2)3/h5-6,11H,4,7-9H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one?
1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one has a molecular weight of 264.33 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 129479017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).