[(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol

C18H30FN5O3 — CID 70768224

IUPAC[(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
SMILESCOCCN(C)C[C@@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@@H]1CO
InChIInChI=1S/C18H30FN5O3/c1-22(3-6-26-2)10-14-11-24(12-15(14)13-25)18-20-9-16(19)17(21-18)23-4-7-27-8-5-23/h9,14-15,25H,3-8,10-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyWXYCAPRGJQOOMU-HUUCEWRRSA-N
MW383.47 g/mol
LogP0.08
Rot. Bonds8

About [(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol

[(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol (PubChem CID 70768224) has the molecular formula C18H30FN5O3 and a molecular weight of 383.47 g/mol. Its IUPAC name is [(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
PubChem CID70768224
Molecular FormulaC18H30FN5O3
Molecular Weight383.47 g/mol
Exact Mass383.23
IUPAC Name[(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
SMILESCOCCN(C)C[C@@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@@H]1CO
InChIInChI=1S/C18H30FN5O3/c1-22(3-6-26-2)10-14-11-24(12-15(14)13-25)18-20-9-16(19)17(21-18)23-4-7-27-8-5-23/h9,14-15,25H,3-8,10-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyWXYCAPRGJQOOMU-HUUCEWRRSA-N
XLogP0.08
TPSA74.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]methanol
CID 70777752
(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
CID 164640878
(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 135087867
(3S,4R)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 133129772
4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
2-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-5,6-dimethylpyridine-3-carbonitrile
CID 70765774
[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(4,7,8-trimethylquinolin-2-yl)pyrrolidin-3-yl]methanol
CID 70761506
1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide
CID 50962192
4-(5-fluoro-4-methoxypyrimidin-2-yl)-2-(2-methoxyethyl)morpholine
CID 131900324
[(3R,4R)-1-[(4-chloro-2-fluorophenyl)methyl]-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 70748852
(3S,4S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 164689559
(3R)-3-ethyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 97120952

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol (CID 70768224) is [(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol is COCCN(C)C[C@@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@@H]1CO.
What is the InChIKey of [(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is WXYCAPRGJQOOMU-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H30FN5O3/c1-22(3-6-26-2)10-14-11-24(12-15(14)13-25)18-20-9-16(19)17(21-18)23-4-7-27-8-5-23/h9,14-15,25H,3-8,10-13H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of [(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol?
[(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 383.47 g/mol, XLogP of 0.08, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70768224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).