4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine

C23H27N5O3 — CID 127251049

IUPAC4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine
SMILESCOCCc1ncc(CN2CCOC(c3cncc(-c4cccc(OC)c4)n3)C2)cn1
InChIInChI=1S/C23H27N5O3/c1-29-8-6-23-25-11-17(12-26-23)15-28-7-9-31-22(16-28)21-14-24-13-20(27-21)18-4-3-5-19(10-18)30-2/h3-5,10-14,22H,6-9,15-16H2,1-2H3
InChIKeyQPLKQHKADCXXQY-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.70
Rot. Bonds8

About 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine

4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine (PubChem CID 127251049) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine
PubChem CID127251049
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine
SMILESCOCCc1ncc(CN2CCOC(c3cncc(-c4cccc(OC)c4)n3)C2)cn1
InChIInChI=1S/C23H27N5O3/c1-29-8-6-23-25-11-17(12-26-23)15-28-7-9-31-22(16-28)21-14-24-13-20(27-21)18-4-3-5-19(10-18)30-2/h3-5,10-14,22H,6-9,15-16H2,1-2H3
InChIKeyQPLKQHKADCXXQY-UHFFFAOYSA-N
XLogP2.70
TPSA82.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine with MolForge

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Related Compounds

(2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine
CID 124988726
(2R)-4-[(2-ethylpyrimidin-5-yl)methyl]-2-[5-[2-(3-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
CID 124986280
4-[(4-fluorophenyl)methyl]-2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholine
CID 127250272
(2R)-N,N-diethyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine-4-sulfonamide
CID 125000431
(2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine
CID 125002519
4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine
CID 127250979
(2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine
CID 124943789
2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine
CID 127251047
(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124975171
2-(3-methoxyphenyl)-6-[1-(2-phenylethyl)piperidin-4-yl]pyrazine
CID 95819598
4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 46956717
(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine
CID 124977152

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine?
The IUPAC name of 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine (CID 127251049) is 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine.
What is the SMILES notation for 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine?
The canonical SMILES for 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine is COCCc1ncc(CN2CCOC(c3cncc(-c4cccc(OC)c4)n3)C2)cn1.
What is the InChIKey of 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine?
The InChIKey is QPLKQHKADCXXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-29-8-6-23-25-11-17(12-26-23)15-28-7-9-31-22(16-28)21-14-24-13-20(27-21)18-4-3-5-19(10-18)30-2/h3-5,10-14,22H,6-9,15-16H2,1-2H3.
What are the key properties of 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine?
4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine has a molecular weight of 421.50 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine is sourced from PubChem (CID 127251049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).