4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine

C21H23N3O3 — CID 56867304

IUPAC4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine
SMILESCOc1cccc(CC2CN(Cc3cnc(-c4ccco4)nc3)CCO2)c1
InChIInChI=1S/C21H23N3O3/c1-25-18-5-2-4-16(10-18)11-19-15-24(7-9-26-19)14-17-12-22-21(23-13-17)20-6-3-8-27-20/h2-6,8,10,12-13,19H,7,9,11,14-15H2,1H3
InChIKeyGIUYINKZUFLZFC-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.19
Rot. Bonds6

About 4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine

4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine (PubChem CID 56867304) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine
PubChem CID56867304
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine
SMILESCOc1cccc(CC2CN(Cc3cnc(-c4ccco4)nc3)CCO2)c1
InChIInChI=1S/C21H23N3O3/c1-25-18-5-2-4-16(10-18)11-19-15-24(7-9-26-19)14-17-12-22-21(23-13-17)20-6-3-8-27-20/h2-6,8,10,12-13,19H,7,9,11,14-15H2,1H3
InChIKeyGIUYINKZUFLZFC-UHFFFAOYSA-N
XLogP3.19
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine
CID 45237658
2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine
CID 81213549
5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole
CID 45232008
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
CID 95550670
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95525046
(2R)-2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 29257197
2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 45205929
4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56873494
2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
CID 102604207
2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 56870012
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
2-[(4-methoxyphenyl)methyl]-4-[(2-propylpyrimidin-5-yl)methyl]morpholine
CID 45237362

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine?
The IUPAC name of 4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine (CID 56867304) is 4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine.
What is the SMILES notation for 4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine?
The canonical SMILES for 4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine is COc1cccc(CC2CN(Cc3cnc(-c4ccco4)nc3)CCO2)c1.
What is the InChIKey of 4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine?
The InChIKey is GIUYINKZUFLZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-25-18-5-2-4-16(10-18)11-19-15-24(7-9-26-19)14-17-12-22-21(23-13-17)20-6-3-8-27-20/h2-6,8,10,12-13,19H,7,9,11,14-15H2,1H3.
What are the key properties of 4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine?
4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine has a molecular weight of 365.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine is sourced from PubChem (CID 56867304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).