(2S)-3-hydroxy-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide

C9H11F3N4O2 — CID 99778363

IUPAC(2S)-3-hydroxy-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
SMILESCNC(=O)[C@H](CO)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4O2/c1-13-7(18)5(4-17)15-8-14-3-2-6(16-8)9(10,11)12/h2-3,5,17H,4H2,1H3,(H,13,18)(H,14,15,16)/t5-/m0/s1
InChIKeyUWNIHAOVDORDNU-YFKPBYRVSA-N
MW264.21 g/mol
LogP0.01
Rot. Bonds4

About (2S)-3-hydroxy-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide

(2S)-3-hydroxy-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide (PubChem CID 99778363) has the molecular formula C9H11F3N4O2 and a molecular weight of 264.21 g/mol. Its IUPAC name is (2S)-3-hydroxy-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
PubChem CID99778363
Molecular FormulaC9H11F3N4O2
Molecular Weight264.21 g/mol
Exact Mass264.08
IUPAC Name(2S)-3-hydroxy-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
SMILESCNC(=O)[C@H](CO)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4O2/c1-13-7(18)5(4-17)15-8-14-3-2-6(16-8)9(10,11)12/h2-3,5,17H,4H2,1H3,(H,13,18)(H,14,15,16)/t5-/m0/s1
InChIKeyUWNIHAOVDORDNU-YFKPBYRVSA-N
XLogP0.01
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-3-hydroxy-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide 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)-3-hydroxy-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The IUPAC name of (2S)-3-hydroxy-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide (CID 99778363) is (2S)-3-hydroxy-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide.
What is the SMILES notation for (2S)-3-hydroxy-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The canonical SMILES for (2S)-3-hydroxy-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide is CNC(=O)[C@H](CO)Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of (2S)-3-hydroxy-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The InChIKey is UWNIHAOVDORDNU-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H11F3N4O2/c1-13-7(18)5(4-17)15-8-14-3-2-6(16-8)9(10,11)12/h2-3,5,17H,4H2,1H3,(H,13,18)(H,14,15,16)/t5-/m0/s1.
What are the key properties of (2S)-3-hydroxy-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
(2S)-3-hydroxy-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide has a molecular weight of 264.21 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide is sourced from PubChem (CID 99778363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).