N-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide

C11H15F3N4O — CID 103111436

IUPACN-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
SMILESCCN(C)C(=O)C(C)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-4-18(3)9(19)7(2)16-10-15-6-5-8(17-10)11(12,13)14/h5-7H,4H2,1-3H3,(H,15,16,17)
InChIKeyYIQVPYQRUFEENQ-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.77
Rot. Bonds4

About N-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide

N-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide (PubChem CID 103111436) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
PubChem CID103111436
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
SMILESCCN(C)C(=O)C(C)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-4-18(3)9(19)7(2)16-10-15-6-5-8(17-10)11(12,13)14/h5-7H,4H2,1-3H3,(H,15,16,17)
InChIKeyYIQVPYQRUFEENQ-UHFFFAOYSA-N
XLogP1.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 47159154
N-butan-2-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 47464136
N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 60732408
4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 64584680
(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 95620017
2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 56786340
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one
CID 115584173
1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine
CID 60732509
(3R)-N,N-dimethyl-3-phenyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 94665026
N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 115659006
N-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 65029180

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The IUPAC name of N-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide (CID 103111436) is N-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The canonical SMILES for N-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide is CCN(C)C(=O)C(C)Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The InChIKey is YIQVPYQRUFEENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-4-18(3)9(19)7(2)16-10-15-6-5-8(17-10)11(12,13)14/h5-7H,4H2,1-3H3,(H,15,16,17).
What are the key properties of N-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
N-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide has a molecular weight of 276.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide is sourced from PubChem (CID 103111436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).