(2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine

C25H30N4O2 — CID 124988726

IUPAC(2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine
SMILESCOCCc1ncc(CN2CCO[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cn1
InChIInChI=1S/C25H30N4O2/c1-19-12-21(13-20-6-4-3-5-7-20)14-23(28-19)24-18-29(9-11-31-24)17-22-15-26-25(27-16-22)8-10-30-2/h3-7,12,14-16,24H,8-11,13,17-18H2,1-2H3/t24-/m0/s1
InChIKeyOOYPBPXPDAWREL-DEOSSOPVSA-N
MW418.54 g/mol
LogP3.53
Rot. Bonds8

About (2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine

(2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine (PubChem CID 124988726) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is (2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine
PubChem CID124988726
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name(2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine
SMILESCOCCc1ncc(CN2CCO[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cn1
InChIInChI=1S/C25H30N4O2/c1-19-12-21(13-20-6-4-3-5-7-20)14-23(28-19)24-18-29(9-11-31-24)17-22-15-26-25(27-16-22)8-10-30-2/h3-7,12,14-16,24H,8-11,13,17-18H2,1-2H3/t24-/m0/s1
InChIKeyOOYPBPXPDAWREL-DEOSSOPVSA-N
XLogP3.53
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine
CID 125002519
4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine
CID 127251049
(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124949780
(2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine
CID 124993881
N,N,2-trimethyl-6-[(2R)-4-[(6-methyl-3-pyridinyl)methyl]morpholin-2-yl]pyridin-4-amine
CID 124990677
(2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholine
CID 124967443
4-[3-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]pyrazin-2-yl]benzamide
CID 127251203
5-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-6-methyl-4-pyridinyl]pyridin-2-amine
CID 92617305
2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine
CID 95834977
6-[4-[(2-methoxypyrimidin-5-yl)methyl]morpholin-2-yl]-N-methylpyridin-2-amine
CID 110112420
1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 127251522
(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(thiophen-3-ylmethyl)morpholine
CID 124953952

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine?
The IUPAC name of (2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine (CID 124988726) is (2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine.
What is the SMILES notation for (2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine?
The canonical SMILES for (2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine is COCCc1ncc(CN2CCO[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cn1.
What is the InChIKey of (2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine?
The InChIKey is OOYPBPXPDAWREL-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-19-12-21(13-20-6-4-3-5-7-20)14-23(28-19)24-18-29(9-11-31-24)17-22-15-26-25(27-16-22)8-10-30-2/h3-7,12,14-16,24H,8-11,13,17-18H2,1-2H3/t24-/m0/s1.
What are the key properties of (2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine?
(2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine has a molecular weight of 418.54 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine is sourced from PubChem (CID 124988726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).