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

C25H29FN4O2 — CID 125002519

IUPAC(2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine
SMILESCOCCc1ncc(CN2CCO[C@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)cn1
InChIInChI=1S/C25H29FN4O2/c1-18-11-20(12-19-3-5-22(26)6-4-19)13-23(29-18)24-17-30(8-10-32-24)16-21-14-27-25(28-15-21)7-9-31-2/h3-6,11,13-15,24H,7-10,12,16-17H2,1-2H3/t24-/m0/s1
InChIKeySKYIHFZDCIBSIN-DEOSSOPVSA-N
MW436.53 g/mol
LogP3.67
Rot. Bonds8

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

(2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine (PubChem CID 125002519) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is (2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine
PubChem CID125002519
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC Name(2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine
SMILESCOCCc1ncc(CN2CCO[C@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)cn1
InChIInChI=1S/C25H29FN4O2/c1-18-11-20(12-19-3-5-22(26)6-4-19)13-23(29-18)24-17-30(8-10-32-24)16-21-14-27-25(28-15-21)7-9-31-2/h3-6,11,13-15,24H,7-10,12,16-17H2,1-2H3/t24-/m0/s1
InChIKeySKYIHFZDCIBSIN-DEOSSOPVSA-N
XLogP3.67
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholine
CID 124967443
4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine
CID 127251049
N,N,2-trimethyl-6-[(2R)-4-[(6-methyl-3-pyridinyl)methyl]morpholin-2-yl]pyridin-4-amine
CID 124990677
(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
2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine
CID 127250719
4-[3-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]pyrazin-2-yl]benzamide
CID 127251203
4-[(4-fluorophenyl)methyl]-2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholine
CID 127250272
5-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-6-methyl-4-pyridinyl]pyridin-2-amine
CID 92617305
2-(4-fluorophenyl)-1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 129454540
(2S)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-ethylpyrimidin-5-yl)methyl]morpholine
CID 124947170

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine?
The IUPAC name of (2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine (CID 125002519) is (2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine.
What is the SMILES notation for (2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine?
The canonical SMILES for (2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine is COCCc1ncc(CN2CCO[C@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)cn1.
What is the InChIKey of (2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine?
The InChIKey is SKYIHFZDCIBSIN-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-18-11-20(12-19-3-5-22(26)6-4-19)13-23(29-18)24-17-30(8-10-32-24)16-21-14-27-25(28-15-21)7-9-31-2/h3-6,11,13-15,24H,7-10,12,16-17H2,1-2H3/t24-/m0/s1.
What are the key properties of (2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine?
(2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine has a molecular weight of 436.53 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine is sourced from PubChem (CID 125002519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).