4-(2,6-dimethoxypyrimidin-4-yl)-2-[(3-methoxyphenyl)methyl]morpholine

C18H23N3O4 — CID 45197477

IUPAC4-(2,6-dimethoxypyrimidin-4-yl)-2-[(3-methoxyphenyl)methyl]morpholine
SMILESCOc1cccc(CC2CN(c3cc(OC)nc(OC)n3)CCO2)c1
InChIInChI=1S/C18H23N3O4/c1-22-14-6-4-5-13(9-14)10-15-12-21(7-8-25-15)16-11-17(23-2)20-18(19-16)24-3/h4-6,9,11,15H,7-8,10,12H2,1-3H3
InChIKeyAKZQMOARMNQLCY-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.95
Rot. Bonds6

About 4-(2,6-dimethoxypyrimidin-4-yl)-2-[(3-methoxyphenyl)methyl]morpholine

4-(2,6-dimethoxypyrimidin-4-yl)-2-[(3-methoxyphenyl)methyl]morpholine (PubChem CID 45197477) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-(2,6-dimethoxypyrimidin-4-yl)-2-[(3-methoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-(2,6-dimethoxypyrimidin-4-yl)-2-[(3-methoxyphenyl)methyl]morpholine
PubChem CID45197477
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name4-(2,6-dimethoxypyrimidin-4-yl)-2-[(3-methoxyphenyl)methyl]morpholine
SMILESCOc1cccc(CC2CN(c3cc(OC)nc(OC)n3)CCO2)c1
InChIInChI=1S/C18H23N3O4/c1-22-14-6-4-5-13(9-14)10-15-12-21(7-8-25-15)16-11-17(23-2)20-18(19-16)24-3/h4-6,9,11,15H,7-8,10,12H2,1-3H3
InChIKeyAKZQMOARMNQLCY-UHFFFAOYSA-N
XLogP1.95
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-4-(6-chloropyridazin-3-yl)-2-[(3-methoxyphenyl)methyl]morpholine
CID 95551475
2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 56870012
2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine
CID 45237658
(2R)-4-cyclohexyl-2-[(3-methoxyphenyl)methyl]morpholine
CID 25376241
2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
CID 102604207
1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-2-methylsulfanylethanone
CID 45248287
[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124999842
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95525046
[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 25457567
(2R)-2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 29257197
2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 45205929
2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxypyrimidin-4-yl)-2-[(3-methoxyphenyl)methyl]morpholine?
The IUPAC name of 4-(2,6-dimethoxypyrimidin-4-yl)-2-[(3-methoxyphenyl)methyl]morpholine (CID 45197477) is 4-(2,6-dimethoxypyrimidin-4-yl)-2-[(3-methoxyphenyl)methyl]morpholine.
What is the SMILES notation for 4-(2,6-dimethoxypyrimidin-4-yl)-2-[(3-methoxyphenyl)methyl]morpholine?
The canonical SMILES for 4-(2,6-dimethoxypyrimidin-4-yl)-2-[(3-methoxyphenyl)methyl]morpholine is COc1cccc(CC2CN(c3cc(OC)nc(OC)n3)CCO2)c1.
What is the InChIKey of 4-(2,6-dimethoxypyrimidin-4-yl)-2-[(3-methoxyphenyl)methyl]morpholine?
The InChIKey is AKZQMOARMNQLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-22-14-6-4-5-13(9-14)10-15-12-21(7-8-25-15)16-11-17(23-2)20-18(19-16)24-3/h4-6,9,11,15H,7-8,10,12H2,1-3H3.
What are the key properties of 4-(2,6-dimethoxypyrimidin-4-yl)-2-[(3-methoxyphenyl)methyl]morpholine?
4-(2,6-dimethoxypyrimidin-4-yl)-2-[(3-methoxyphenyl)methyl]morpholine has a molecular weight of 345.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxypyrimidin-4-yl)-2-[(3-methoxyphenyl)methyl]morpholine is sourced from PubChem (CID 45197477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).