N-(2-methoxyethyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide

C11H15F3N4O2 — CID 47371032

IUPACN-(2-methoxyethyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
SMILESCOCCNC(=O)CCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O2/c1-20-7-6-15-9(19)3-5-17-10-16-4-2-8(18-10)11(12,13)14/h2,4H,3,5-7H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyWJACMLPEDRXXGQ-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.06
Rot. Bonds7

About N-(2-methoxyethyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide

N-(2-methoxyethyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide (PubChem CID 47371032) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
PubChem CID47371032
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC NameN-(2-methoxyethyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
SMILESCOCCNC(=O)CCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O2/c1-20-7-6-15-9(19)3-5-17-10-16-4-2-8(18-10)11(12,13)14/h2,4H,3,5-7H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyWJACMLPEDRXXGQ-UHFFFAOYSA-N
XLogP1.06
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide (CID 47371032) is N-(2-methoxyethyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide is COCCNC(=O)CCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-methoxyethyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The InChIKey is WJACMLPEDRXXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-20-7-6-15-9(19)3-5-17-10-16-4-2-8(18-10)11(12,13)14/h2,4H,3,5-7H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of N-(2-methoxyethyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
N-(2-methoxyethyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide has a molecular weight of 292.26 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide is sourced from PubChem (CID 47371032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).