(2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine

C17H21N3O2 — CID 161245616

IUPAC(2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine
SMILESCCOc1cnc(Cc2ccc([C@H]3CNCCO3)cc2)nc1
InChIInChI=1S/C17H21N3O2/c1-2-21-15-10-19-17(20-11-15)9-13-3-5-14(6-4-13)16-12-18-7-8-22-16/h3-6,10-11,16,18H,2,7-9,12H2,1H3/t16-/m1/s1
InChIKeyVAPCINPUEHKIHM-MRXNPFEDSA-N
MW299.37 g/mol
LogP2.13
Rot. Bonds5

About (2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine

(2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine (PubChem CID 161245616) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine
PubChem CID161245616
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine
SMILESCCOc1cnc(Cc2ccc([C@H]3CNCCO3)cc2)nc1
InChIInChI=1S/C17H21N3O2/c1-2-21-15-10-19-17(20-11-15)9-13-3-5-14(6-4-13)16-12-18-7-8-22-16/h3-6,10-11,16,18H,2,7-9,12H2,1H3/t16-/m1/s1
InChIKeyVAPCINPUEHKIHM-MRXNPFEDSA-N
XLogP2.13
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine
CID 157218899
(2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine
CID 147052117
(2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine
CID 147724595
5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-ethoxy-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 158155601
1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 58315606
1-[2-(4-ethoxyphenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 147141774
4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889
2-(3-chloro-4-ethoxyphenyl)morpholine
CID 82293187
(2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine
CID 161143915
ethyl 4-[(2S)-morpholin-2-yl]benzoate
CID 167721608
2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 90047249
2-(6-bromo-3-pyridinyl)morpholine;hydrochloride
CID 170910722

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine?
The IUPAC name of (2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine (CID 161245616) is (2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine.
What is the SMILES notation for (2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine?
The canonical SMILES for (2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine is CCOc1cnc(Cc2ccc([C@H]3CNCCO3)cc2)nc1.
What is the InChIKey of (2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine?
The InChIKey is VAPCINPUEHKIHM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-21-15-10-19-17(20-11-15)9-13-3-5-14(6-4-13)16-12-18-7-8-22-16/h3-6,10-11,16,18H,2,7-9,12H2,1H3/t16-/m1/s1.
What are the key properties of (2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine?
(2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine has a molecular weight of 299.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine is sourced from PubChem (CID 161245616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).