1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone

C17H19N3O2 — CID 124882003

IUPAC1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone
SMILESC[C@H]1CN(C(=O)Cc2cncnc2)[C@@H](c2ccccc2)CO1
InChIInChI=1S/C17H19N3O2/c1-13-10-20(17(21)7-14-8-18-12-19-9-14)16(11-22-13)15-5-3-2-4-6-15/h2-6,8-9,12-13,16H,7,10-11H2,1H3/t13-,16+/m0/s1
InChIKeyDEWXSAZTIROLFR-XJKSGUPXSA-N
MW297.36 g/mol
LogP2.01
Rot. Bonds3

About 1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone

1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone (PubChem CID 124882003) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone.

Molecular Properties

Compound Name1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone
PubChem CID124882003
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone
SMILESC[C@H]1CN(C(=O)Cc2cncnc2)[C@@H](c2ccccc2)CO1
InChIInChI=1S/C17H19N3O2/c1-13-10-20(17(21)7-14-8-18-12-19-9-14)16(11-22-13)15-5-3-2-4-6-15/h2-6,8-9,12-13,16H,7,10-11H2,1H3/t13-,16+/m0/s1
InChIKeyDEWXSAZTIROLFR-XJKSGUPXSA-N
XLogP2.01
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone
CID 124686301
(2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone
CID 154879876
2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
CID 111540812
2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
CID 71993114
1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119804151
(2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one
CID 124890111
[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone
CID 124694261
4-methyl-1-[2-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one
CID 124627784
4-methyl-1-[2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one
CID 124627783
(3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone
CID 124572458
N-[4-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 97023940
4-(3-fluoroprop-1-en-2-yl)-2-methyl-5-phenylmorpholine
CID 142383852

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone?
The IUPAC name of 1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone (CID 124882003) is 1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone.
What is the SMILES notation for 1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone?
The canonical SMILES for 1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone is C[C@H]1CN(C(=O)Cc2cncnc2)[C@@H](c2ccccc2)CO1.
What is the InChIKey of 1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone?
The InChIKey is DEWXSAZTIROLFR-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-10-20(17(21)7-14-8-18-12-19-9-14)16(11-22-13)15-5-3-2-4-6-15/h2-6,8-9,12-13,16H,7,10-11H2,1H3/t13-,16+/m0/s1.
What are the key properties of 1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone?
1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone has a molecular weight of 297.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone is sourced from PubChem (CID 124882003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).