(2S)-4-methyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]pentanamide

C11H15F3N4O — CID 72846141

IUPAC(2S)-4-methyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]pentanamide
SMILESCC(C)C[C@H](Nc1ccnc(C(F)(F)F)n1)C(N)=O
InChIInChI=1S/C11H15F3N4O/c1-6(2)5-7(9(15)19)17-8-3-4-16-10(18-8)11(12,13)14/h3-4,6-7H,5H2,1-2H3,(H2,15,19)(H,16,17,18)/t7-/m0/s1
InChIKeyPPWDNYIBPCNNEL-ZETCQYMHSA-N
MW276.26 g/mol
LogP1.81
Rot. Bonds5

About (2S)-4-methyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]pentanamide

(2S)-4-methyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]pentanamide (PubChem CID 72846141) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]pentanamide
PubChem CID72846141
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name(2S)-4-methyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]pentanamide
SMILESCC(C)C[C@H](Nc1ccnc(C(F)(F)F)n1)C(N)=O
InChIInChI=1S/C11H15F3N4O/c1-6(2)5-7(9(15)19)17-8-3-4-16-10(18-8)11(12,13)14/h3-4,6-7H,5H2,1-2H3,(H2,15,19)(H,16,17,18)/t7-/m0/s1
InChIKeyPPWDNYIBPCNNEL-ZETCQYMHSA-N
XLogP1.81
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-4-methyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]pentanamide?
The IUPAC name of (2S)-4-methyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]pentanamide (CID 72846141) is (2S)-4-methyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]pentanamide.
What is the SMILES notation for (2S)-4-methyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]pentanamide?
The canonical SMILES for (2S)-4-methyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]pentanamide is CC(C)C[C@H](Nc1ccnc(C(F)(F)F)n1)C(N)=O.
What is the InChIKey of (2S)-4-methyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]pentanamide?
The InChIKey is PPWDNYIBPCNNEL-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-6(2)5-7(9(15)19)17-8-3-4-16-10(18-8)11(12,13)14/h3-4,6-7H,5H2,1-2H3,(H2,15,19)(H,16,17,18)/t7-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]pentanamide?
(2S)-4-methyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]pentanamide has a molecular weight of 276.26 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]pentanamide is sourced from PubChem (CID 72846141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).