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

C10H12ClF3N4O — CID 114562244

IUPAC2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C10H12ClF3N4O/c1-17(2)8(19)5-18(3)7-4-6(10(12,13)14)15-9(11)16-7/h4H,5H2,1-3H3
InChIKeyGIIIYCDQYPTAGQ-UHFFFAOYSA-N
MW296.68 g/mol
LogP1.67
Rot. Bonds3

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

2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide (PubChem CID 114562244) has the molecular formula C10H12ClF3N4O and a molecular weight of 296.68 g/mol. Its IUPAC name is 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
PubChem CID114562244
Molecular FormulaC10H12ClF3N4O
Molecular Weight296.68 g/mol
Exact Mass296.07
IUPAC Name2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C10H12ClF3N4O/c1-17(2)8(19)5-18(3)7-4-6(10(12,13)14)15-9(11)16-7/h4H,5H2,1-3H3
InChIKeyGIIIYCDQYPTAGQ-UHFFFAOYSA-N
XLogP1.67
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-N,N-diethyl-acetamide
CID 1903179
1-(4-(6-Methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl)piperazin-1-yl)ethanone
CID 112909430
4-[2-(Dimethylamino)-6-methyl-4-pyrimidinyl]-1,4-diazepan-2-one
CID 39776034
(3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,3-dimethylpiperazin-2-one
CID 39794145
2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 45808709
1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 72056167
2-acetamido-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}acetamide
CID 91631455
2,2-Dimethyl-1-(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)propan-1-one
CID 91631570
2-[Butyl-(2-ethyl-6-methylpyrimidin-4-yl)amino]acetamide
CID 100760258
3-[5-[[2,6-Bis(trifluoromethyl)pyrimidin-4-yl]amino]-3-oxo-1,2-thiazol-4-yl]-1,1-dimethylurea
CID 58712513
4-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one
CID 114562194
4-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563741

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide (CID 114562244) is 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)c1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide?
The InChIKey is GIIIYCDQYPTAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N4O/c1-17(2)8(19)5-18(3)7-4-6(10(12,13)14)15-9(11)16-7/h4H,5H2,1-3H3.
What are the key properties of 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide?
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide has a molecular weight of 296.68 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 114562244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).