3,3,3-trifluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide

C11H13F3N4O2 — CID 122298945

IUPAC3,3,3-trifluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide
SMILESO=C(CC(F)(F)F)Nc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)5-9(19)17-8-6-15-10(16-7-8)18-1-3-20-4-2-18/h6-7H,1-5H2,(H,17,19)
InChIKeyVEZQUKZTGZTOSU-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.20
Rot. Bonds3

About 3,3,3-trifluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide

3,3,3-trifluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide (PubChem CID 122298945) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide
PubChem CID122298945
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Name3,3,3-trifluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide
SMILESO=C(CC(F)(F)F)Nc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)5-9(19)17-8-6-15-10(16-7-8)18-1-3-20-4-2-18/h6-7H,1-5H2,(H,17,19)
InChIKeyVEZQUKZTGZTOSU-UHFFFAOYSA-N
XLogP1.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide (CID 122298945) is 3,3,3-trifluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide is O=C(CC(F)(F)F)Nc1cnc(N2CCOCC2)nc1.
What is the InChIKey of 3,3,3-trifluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide?
The InChIKey is VEZQUKZTGZTOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c12-11(13,14)5-9(19)17-8-6-15-10(16-7-8)18-1-3-20-4-2-18/h6-7H,1-5H2,(H,17,19).
What are the key properties of 3,3,3-trifluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide?
3,3,3-trifluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide has a molecular weight of 290.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 122298945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).