trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide

C11H12ClF3N4O — CID 91147943

IUPACtrans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
SMILESNC(=O)[C@H]1CCC[C@@H]1Nc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C11H12ClF3N4O/c12-10-17-4-6(11(13,14)15)9(19-10)18-7-3-1-2-5(7)8(16)20/h4-5,7H,1-3H2,(H2,16,20)(H,17,18,19)/t5-,7-/m0/s1
InChIKeyNJZFSTQNVXPJAA-FSPLSTOPSA-N
MW308.69 g/mol
LogP2.21
Rot. Bonds3

About trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide

trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide (PubChem CID 91147943) has the molecular formula C11H12ClF3N4O and a molecular weight of 308.69 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
PubChem CID91147943
Molecular FormulaC11H12ClF3N4O
Molecular Weight308.69 g/mol
Exact Mass308.07
IUPAC Nametrans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
SMILESNC(=O)[C@H]1CCC[C@@H]1Nc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C11H12ClF3N4O/c12-10-17-4-6(11(13,14)15)9(19-10)18-7-3-1-2-5(7)8(16)20/h4-5,7H,1-3H2,(H2,16,20)(H,17,18,19)/t5-,7-/m0/s1
InChIKeyNJZFSTQNVXPJAA-FSPLSTOPSA-N
XLogP2.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide 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 trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide (CID 91147943) is trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide is NC(=O)[C@H]1CCC[C@@H]1Nc1nc(Cl)ncc1C(F)(F)F.
What is the InChIKey of trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide?
The InChIKey is NJZFSTQNVXPJAA-FSPLSTOPSA-N. The full InChI is InChI=1S/C11H12ClF3N4O/c12-10-17-4-6(11(13,14)15)9(19-10)18-7-3-1-2-5(7)8(16)20/h4-5,7H,1-3H2,(H2,16,20)(H,17,18,19)/t5-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide?
trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide has a molecular weight of 308.69 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 91147943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).