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

C10H13F3N4O2 — CID 36615131

IUPACN-(2-methoxyethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
SMILESCOCCNC(=O)CNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O2/c1-19-5-4-14-8(18)6-16-9-15-3-2-7(17-9)10(11,12)13/h2-3H,4-6H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyNLKNDULVQGPOKY-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.67
Rot. Bonds6

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

N-(2-methoxyethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide (PubChem CID 36615131) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
PubChem CID36615131
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC NameN-(2-methoxyethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
SMILESCOCCNC(=O)CNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O2/c1-19-5-4-14-8(18)6-16-9-15-3-2-7(17-9)10(11,12)13/h2-3H,4-6H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyNLKNDULVQGPOKY-UHFFFAOYSA-N
XLogP0.67
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.67
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)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide (CID 36615131) is N-(2-methoxyethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide is COCCNC(=O)CNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide?
The InChIKey is NLKNDULVQGPOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c1-19-5-4-14-8(18)6-16-9-15-3-2-7(17-9)10(11,12)13/h2-3H,4-6H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of N-(2-methoxyethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide?
N-(2-methoxyethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide has a molecular weight of 278.23 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide is sourced from PubChem (CID 36615131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).