2-[(4-methoxyphenyl)methyl]-4-[(2-propylpyrimidin-5-yl)methyl]morpholine

C20H27N3O2 — CID 45237362

IUPAC2-[(4-methoxyphenyl)methyl]-4-[(2-propylpyrimidin-5-yl)methyl]morpholine
SMILESCCCc1ncc(CN2CCOC(Cc3ccc(OC)cc3)C2)cn1
InChIInChI=1S/C20H27N3O2/c1-3-4-20-21-12-17(13-22-20)14-23-9-10-25-19(15-23)11-16-5-7-18(24-2)8-6-16/h5-8,12-13,19H,3-4,9-11,14-15H2,1-2H3
InChIKeyCQZBPBXXPKTHPB-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.88
Rot. Bonds7

About 2-[(4-methoxyphenyl)methyl]-4-[(2-propylpyrimidin-5-yl)methyl]morpholine

2-[(4-methoxyphenyl)methyl]-4-[(2-propylpyrimidin-5-yl)methyl]morpholine (PubChem CID 45237362) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-4-[(2-propylpyrimidin-5-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-4-[(2-propylpyrimidin-5-yl)methyl]morpholine
PubChem CID45237362
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-[(4-methoxyphenyl)methyl]-4-[(2-propylpyrimidin-5-yl)methyl]morpholine
SMILESCCCc1ncc(CN2CCOC(Cc3ccc(OC)cc3)C2)cn1
InChIInChI=1S/C20H27N3O2/c1-3-4-20-21-12-17(13-22-20)14-23-9-10-25-19(15-23)11-16-5-7-18(24-2)8-6-16/h5-8,12-13,19H,3-4,9-11,14-15H2,1-2H3
InChIKeyCQZBPBXXPKTHPB-UHFFFAOYSA-N
XLogP2.88
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
(2S)-4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine
CID 31016043
(2R)-4-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-methoxyphenyl)methyl]morpholine
CID 25385477
4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
CID 45197160
4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56867304
(2S)-2-[(4-methoxyphenyl)methyl]-4-(4,4,4-trifluorobutyl)morpholine
CID 95126490
(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 29024699
9-(4-methoxyphenyl)-3-[(2-propylpyrimidin-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-ol
CID 16673924
(2R)-2-[(4-methoxyphenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine
CID 124990787
5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole
CID 45232008
2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine
CID 45237658
6-[4-[(4-methoxyphenyl)methyl]morpholin-2-yl]-N-methylpyridin-3-amine
CID 110272026

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-[(2-propylpyrimidin-5-yl)methyl]morpholine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-[(2-propylpyrimidin-5-yl)methyl]morpholine (CID 45237362) is 2-[(4-methoxyphenyl)methyl]-4-[(2-propylpyrimidin-5-yl)methyl]morpholine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-4-[(2-propylpyrimidin-5-yl)methyl]morpholine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-4-[(2-propylpyrimidin-5-yl)methyl]morpholine is CCCc1ncc(CN2CCOC(Cc3ccc(OC)cc3)C2)cn1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-4-[(2-propylpyrimidin-5-yl)methyl]morpholine?
The InChIKey is CQZBPBXXPKTHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-4-20-21-12-17(13-22-20)14-23-9-10-25-19(15-23)11-16-5-7-18(24-2)8-6-16/h5-8,12-13,19H,3-4,9-11,14-15H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-4-[(2-propylpyrimidin-5-yl)methyl]morpholine?
2-[(4-methoxyphenyl)methyl]-4-[(2-propylpyrimidin-5-yl)methyl]morpholine has a molecular weight of 341.46 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-4-[(2-propylpyrimidin-5-yl)methyl]morpholine is sourced from PubChem (CID 45237362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).