3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide

C14H19F3N4O2 — CID 164637606

IUPAC3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide
SMILESO=C(CCc1cncnc1)NC[C@H](N1CCOCC1)C(F)(F)F
InChIInChI=1S/C14H19F3N4O2/c15-14(16,17)12(21-3-5-23-6-4-21)9-20-13(22)2-1-11-7-18-10-19-8-11/h7-8,10,12H,1-6,9H2,(H,20,22)/t12-/m0/s1
InChIKeyGRRPWDARXRJSST-LBPRGKRZSA-N
MW332.33 g/mol
LogP0.79
Rot. Bonds6

About 3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide

3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide (PubChem CID 164637606) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide.

Molecular Properties

Compound Name3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide
PubChem CID164637606
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide
SMILESO=C(CCc1cncnc1)NC[C@H](N1CCOCC1)C(F)(F)F
InChIInChI=1S/C14H19F3N4O2/c15-14(16,17)12(21-3-5-23-6-4-21)9-20-13(22)2-1-11-7-18-10-19-8-11/h7-8,10,12H,1-6,9H2,(H,20,22)/t12-/m0/s1
InChIKeyGRRPWDARXRJSST-LBPRGKRZSA-N
XLogP0.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide?
The IUPAC name of 3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide (CID 164637606) is 3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide.
What is the SMILES notation for 3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide?
The canonical SMILES for 3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide is O=C(CCc1cncnc1)NC[C@H](N1CCOCC1)C(F)(F)F.
What is the InChIKey of 3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide?
The InChIKey is GRRPWDARXRJSST-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c15-14(16,17)12(21-3-5-23-6-4-21)9-20-13(22)2-1-11-7-18-10-19-8-11/h7-8,10,12H,1-6,9H2,(H,20,22)/t12-/m0/s1.
What are the key properties of 3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide?
3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide has a molecular weight of 332.33 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide is sourced from PubChem (CID 164637606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).