1-[(2S)-4-[[2-(2-fluorophenoxy)pyrimidin-5-yl]methyl]morpholin-2-yl]propan-1-one

C18H20FN3O3 — CID 157281853

IUPAC1-[(2S)-4-[[2-(2-fluorophenoxy)pyrimidin-5-yl]methyl]morpholin-2-yl]propan-1-one
SMILESCCC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3F)nc2)CCO1
InChIInChI=1S/C18H20FN3O3/c1-2-15(23)17-12-22(7-8-24-17)11-13-9-20-18(21-10-13)25-16-6-4-3-5-14(16)19/h3-6,9-10,17H,2,7-8,11-12H2,1H3/t17-/m0/s1
InChIKeyAZTIGMMQFDMZJK-KRWDZBQOSA-N
MW345.37 g/mol
LogP2.59
Rot. Bonds6

About 1-[(2S)-4-[[2-(2-fluorophenoxy)pyrimidin-5-yl]methyl]morpholin-2-yl]propan-1-one

1-[(2S)-4-[[2-(2-fluorophenoxy)pyrimidin-5-yl]methyl]morpholin-2-yl]propan-1-one (PubChem CID 157281853) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-[(2S)-4-[[2-(2-fluorophenoxy)pyrimidin-5-yl]methyl]morpholin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2S)-4-[[2-(2-fluorophenoxy)pyrimidin-5-yl]methyl]morpholin-2-yl]propan-1-one
PubChem CID157281853
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name1-[(2S)-4-[[2-(2-fluorophenoxy)pyrimidin-5-yl]methyl]morpholin-2-yl]propan-1-one
SMILESCCC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3F)nc2)CCO1
InChIInChI=1S/C18H20FN3O3/c1-2-15(23)17-12-22(7-8-24-17)11-13-9-20-18(21-10-13)25-16-6-4-3-5-14(16)19/h3-6,9-10,17H,2,7-8,11-12H2,1H3/t17-/m0/s1
InChIKeyAZTIGMMQFDMZJK-KRWDZBQOSA-N
XLogP2.59
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-[[2-(2-fluorophenoxy)pyrimidin-5-yl]methyl]morpholin-2-yl]propan-1-one?
The IUPAC name of 1-[(2S)-4-[[2-(2-fluorophenoxy)pyrimidin-5-yl]methyl]morpholin-2-yl]propan-1-one (CID 157281853) is 1-[(2S)-4-[[2-(2-fluorophenoxy)pyrimidin-5-yl]methyl]morpholin-2-yl]propan-1-one.
What is the SMILES notation for 1-[(2S)-4-[[2-(2-fluorophenoxy)pyrimidin-5-yl]methyl]morpholin-2-yl]propan-1-one?
The canonical SMILES for 1-[(2S)-4-[[2-(2-fluorophenoxy)pyrimidin-5-yl]methyl]morpholin-2-yl]propan-1-one is CCC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3F)nc2)CCO1.
What is the InChIKey of 1-[(2S)-4-[[2-(2-fluorophenoxy)pyrimidin-5-yl]methyl]morpholin-2-yl]propan-1-one?
The InChIKey is AZTIGMMQFDMZJK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-2-15(23)17-12-22(7-8-24-17)11-13-9-20-18(21-10-13)25-16-6-4-3-5-14(16)19/h3-6,9-10,17H,2,7-8,11-12H2,1H3/t17-/m0/s1.
What are the key properties of 1-[(2S)-4-[[2-(2-fluorophenoxy)pyrimidin-5-yl]methyl]morpholin-2-yl]propan-1-one?
1-[(2S)-4-[[2-(2-fluorophenoxy)pyrimidin-5-yl]methyl]morpholin-2-yl]propan-1-one has a molecular weight of 345.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-[[2-(2-fluorophenoxy)pyrimidin-5-yl]methyl]morpholin-2-yl]propan-1-one is sourced from PubChem (CID 157281853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).