[(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

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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).