2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one

C13H19FN4O2 — CID 103880038

IUPAC2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCCc1ncnc(NC(C)C(=O)N2CCOCC2)c1F
InChIInChI=1S/C13H19FN4O2/c1-3-10-11(14)12(16-8-15-10)17-9(2)13(19)18-4-6-20-7-5-18/h8-9H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyYOCLCZNZCNCOFM-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.84
Rot. Bonds4

About 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one

2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 103880038) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID103880038
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCCc1ncnc(NC(C)C(=O)N2CCOCC2)c1F
InChIInChI=1S/C13H19FN4O2/c1-3-10-11(14)12(16-8-15-10)17-9(2)13(19)18-4-6-20-7-5-18/h8-9H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyYOCLCZNZCNCOFM-UHFFFAOYSA-N
XLogP0.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one (CID 103880038) is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one is CCc1ncnc(NC(C)C(=O)N2CCOCC2)c1F.
What is the InChIKey of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is YOCLCZNZCNCOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O2/c1-3-10-11(14)12(16-8-15-10)17-9(2)13(19)18-4-6-20-7-5-18/h8-9H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 282.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 103880038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).