N-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide

C16H18F3N5O — CID 133277108

IUPACN-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Nc2nc(N(C)C)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H18F3N5O/c1-10(25)24(4)12-7-5-11(6-8-12)20-15-21-13(16(17,18)19)9-14(22-15)23(2)3/h5-9H,1-4H3,(H,20,21,22)
InChIKeyARNXKRFZNGHBJA-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.29
Rot. Bonds4

About N-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide

N-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide (PubChem CID 133277108) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide
PubChem CID133277108
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC NameN-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Nc2nc(N(C)C)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H18F3N5O/c1-10(25)24(4)12-7-5-11(6-8-12)20-15-21-13(16(17,18)19)9-14(22-15)23(2)3/h5-9H,1-4H3,(H,20,21,22)
InChIKeyARNXKRFZNGHBJA-UHFFFAOYSA-N
XLogP3.29
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 60521236
4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-N,N-diethylbenzamide
CID 78870763
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethoxy)benzamide
CID 122287334
N-[3-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]-2-methylbutanamide
CID 78897830
N-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]-N-methylacetamide
CID 47464161
4-[[4-(4-carboxyanilino)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]amino]benzoic acid
CID 90753530
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]cyclopentanecarboxamide
CID 121032303
2-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 167951590
4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 20585928
N-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567157
N-methyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 114564053
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]cyclohexanecarboxamide
CID 27478105

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide (CID 133277108) is N-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(Nc2nc(N(C)C)cc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide?
The InChIKey is ARNXKRFZNGHBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-10(25)24(4)12-7-5-11(6-8-12)20-15-21-13(16(17,18)19)9-14(22-15)23(2)3/h5-9H,1-4H3,(H,20,21,22).
What are the key properties of N-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide?
N-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide has a molecular weight of 353.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide is sourced from PubChem (CID 133277108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).