[3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone

C18H21N3O3 — CID 125009284

IUPAC[3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
SMILESCOCc1cccc(C(=O)N2CCO[C@H](c3ccnc(C)n3)C2)c1
InChIInChI=1S/C18H21N3O3/c1-13-19-7-6-16(20-13)17-11-21(8-9-24-17)18(22)15-5-3-4-14(10-15)12-23-2/h3-7,10,17H,8-9,11-12H2,1-2H3/t17-/m0/s1
InChIKeyVBEJLJXHMGFIKI-KRWDZBQOSA-N
MW327.38 g/mol
LogP2.15
Rot. Bonds4

About [3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone

[3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone (PubChem CID 125009284) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
PubChem CID125009284
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
SMILESCOCc1cccc(C(=O)N2CCO[C@H](c3ccnc(C)n3)C2)c1
InChIInChI=1S/C18H21N3O3/c1-13-19-7-6-16(20-13)17-11-21(8-9-24-17)18(22)15-5-3-4-14(10-15)12-23-2/h3-7,10,17H,8-9,11-12H2,1-2H3/t17-/m0/s1
InChIKeyVBEJLJXHMGFIKI-KRWDZBQOSA-N
XLogP2.15
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(methoxymethyl)phenyl]-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124952972
[2-(3-chlorophenyl)morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 122138903
[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 110115860
1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 125018775
[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124968695
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334
[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 125022866
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 125022865
(3-methyl-2-pyridinyl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956752
[3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124997143
[3-(methoxymethyl)phenyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110119032
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956680

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone?
The IUPAC name of [3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone (CID 125009284) is [3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for [3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone is COCc1cccc(C(=O)N2CCO[C@H](c3ccnc(C)n3)C2)c1.
What is the InChIKey of [3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone?
The InChIKey is VBEJLJXHMGFIKI-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-19-7-6-16(20-13)17-11-21(8-9-24-17)18(22)15-5-3-4-14(10-15)12-23-2/h3-7,10,17H,8-9,11-12H2,1-2H3/t17-/m0/s1.
What are the key properties of [3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone?
[3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone has a molecular weight of 327.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 125009284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).