2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide

C11H14ClF3N4O — CID 106767345

IUPAC2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14ClF3N4O/c1-4-19(6-9(20)18(2)3)8-5-7(12)16-10(17-8)11(13,14)15/h5H,4,6H2,1-3H3
InChIKeySJYNGRRUUCHOIS-UHFFFAOYSA-N
MW310.71 g/mol
LogP2.06
Rot. Bonds4

About 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide

2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide (PubChem CID 106767345) has the molecular formula C11H14ClF3N4O and a molecular weight of 310.71 g/mol. Its IUPAC name is 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
PubChem CID106767345
Molecular FormulaC11H14ClF3N4O
Molecular Weight310.71 g/mol
Exact Mass310.08
IUPAC Name2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14ClF3N4O/c1-4-19(6-9(20)18(2)3)8-5-7(12)16-10(17-8)11(13,14)15/h5H,4,6H2,1-3H3
InChIKeySJYNGRRUUCHOIS-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 80939213
2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 63587654
2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide
CID 102717832
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-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 80953303
2-[(2-chloro-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 102824069
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 106767470
2-[ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 137015594
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 114562244
4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine
CID 106766587
2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine
CID 80953542

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide (CID 106767345) is 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide?
The InChIKey is SJYNGRRUUCHOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4O/c1-4-19(6-9(20)18(2)3)8-5-7(12)16-10(17-8)11(13,14)15/h5H,4,6H2,1-3H3.
What are the key properties of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide?
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide has a molecular weight of 310.71 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 106767345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).