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

C19H23N3O3 — CID 124997143

IUPAC[3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
SMILESCOCc1cccc(C(=O)N2CCO[C@@H](CCc3ccncn3)C2)c1
InChIInChI=1S/C19H23N3O3/c1-24-13-15-3-2-4-16(11-15)19(23)22-9-10-25-18(12-22)6-5-17-7-8-20-14-21-17/h2-4,7-8,11,14,18H,5-6,9-10,12-13H2,1H3/t18-/m0/s1
InChIKeyQYAHHLPTURUHIZ-SFHVURJKSA-N
MW341.41 g/mol
LogP2.10
Rot. Bonds6

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

[3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone (PubChem CID 124997143) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
PubChem CID124997143
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
SMILESCOCc1cccc(C(=O)N2CCO[C@@H](CCc3ccncn3)C2)c1
InChIInChI=1S/C19H23N3O3/c1-24-13-15-3-2-4-16(11-15)19(23)22-9-10-25-18(12-22)6-5-17-7-8-20-14-21-17/h2-4,7-8,11,14,18H,5-6,9-10,12-13H2,1H3/t18-/m0/s1
InChIKeyQYAHHLPTURUHIZ-SFHVURJKSA-N
XLogP2.10
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(methoxymethyl)phenyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110119032
(3-fluoro-4-methoxyphenyl)-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124944270
pyrimidin-2-yl-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124961131
[4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 125002887
2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
CID 125024352
(2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116322
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116424
[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124986519
(5-methylpyrazin-2-yl)-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 125018190
[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124986520
(5-methylpyrazin-2-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116321
1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 125003001

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone?
The IUPAC name of [3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone (CID 124997143) is [3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone?
The canonical SMILES for [3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone is COCc1cccc(C(=O)N2CCO[C@@H](CCc3ccncn3)C2)c1.
What is the InChIKey of [3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone?
The InChIKey is QYAHHLPTURUHIZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-13-15-3-2-4-16(11-15)19(23)22-9-10-25-18(12-22)6-5-17-7-8-20-14-21-17/h2-4,7-8,11,14,18H,5-6,9-10,12-13H2,1H3/t18-/m0/s1.
What are the key properties of [3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone?
[3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 2.10, 6 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-pyrimidin-4-ylethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 124997143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).