2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide

C11H14ClF3N4O2 — CID 106767470

IUPAC2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14ClF3N4O2/c1-19(6-9(20)16-3-4-21-2)8-5-7(12)17-10(18-8)11(13,14)15/h5H,3-4,6H2,1-2H3,(H,16,20)
InChIKeyOXURQHAVNCAUKR-UHFFFAOYSA-N
MW326.71 g/mol
LogP1.35
Rot. Bonds6

About 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide

2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 106767470) has the molecular formula C11H14ClF3N4O2 and a molecular weight of 326.71 g/mol. Its IUPAC name is 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID106767470
Molecular FormulaC11H14ClF3N4O2
Molecular Weight326.71 g/mol
Exact Mass326.08
IUPAC Name2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14ClF3N4O2/c1-19(6-9(20)16-3-4-21-2)8-5-7(12)17-10(18-8)11(13,14)15/h5H,3-4,6H2,1-2H3,(H,16,20)
InChIKeyOXURQHAVNCAUKR-UHFFFAOYSA-N
XLogP1.35
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.71
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 106767496
3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106917431
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide
CID 106768280
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 55023792
2-[(5-aminopyrazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80652005
2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80935631
2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 80940171
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 102716156
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 80663277
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
CID 106767345
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 106770720
2-[(4-chloro-1,2,5-thiadiazol-3-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 60726164

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide (CID 106767470) is 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is OXURQHAVNCAUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4O2/c1-19(6-9(20)16-3-4-21-2)8-5-7(12)17-10(18-8)11(13,14)15/h5H,3-4,6H2,1-2H3,(H,16,20).
What are the key properties of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 326.71 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 106767470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).