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

C16H18F3N5O — CID 120667053

IUPAC2-amino-2-(4-methylphenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCCNc2nccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H18F3N5O/c1-10-2-4-11(5-3-10)13(20)14(25)21-8-9-23-15-22-7-6-12(24-15)16(17,18)19/h2-7,13H,8-9,20H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyUPIBTUOPHCRBOI-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.03
Rot. Bonds6

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

2-amino-2-(4-methylphenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide (PubChem CID 120667053) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide
PubChem CID120667053
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC Name2-amino-2-(4-methylphenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCCNc2nccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H18F3N5O/c1-10-2-4-11(5-3-10)13(20)14(25)21-8-9-23-15-22-7-6-12(24-15)16(17,18)19/h2-7,13H,8-9,20H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyUPIBTUOPHCRBOI-UHFFFAOYSA-N
XLogP2.03
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]butanamide;hydrochloride
CID 119708124
2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride
CID 119708120
2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 120668636
4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide
CID 60507961
2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114150555
2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]acetamide
CID 103766936
2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylcarbamoyl]benzoic acid
CID 3515621
3-(2-aminophenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide;hydrochloride
CID 120608640
2-amino-2-(4-methylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 106151234
2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 104683281
N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 47159154
3-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butanoic acid
CID 81065475

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide (CID 120667053) is 2-amino-2-(4-methylphenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide is Cc1ccc(C(N)C(=O)NCCNc2nccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide?
The InChIKey is UPIBTUOPHCRBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-10-2-4-11(5-3-10)13(20)14(25)21-8-9-23-15-22-7-6-12(24-15)16(17,18)19/h2-7,13H,8-9,20H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide?
2-amino-2-(4-methylphenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide has a molecular weight of 353.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 120667053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).