5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine

C15H14ClF5N4O — CID 162514041

IUPAC5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine
SMILESCC[C@@H](COc1ccc(C(F)(F)F)cn1)Nc1ncnc(C(F)F)c1Cl
InChIInChI=1S/C15H14ClF5N4O/c1-2-9(25-14-11(16)12(13(17)18)23-7-24-14)6-26-10-4-3-8(5-22-10)15(19,20)21/h3-5,7,9,13H,2,6H2,1H3,(H,23,24,25)/t9-/m0/s1
InChIKeyAFRPOYIGEMQYEV-VIFPVBQESA-N
MW396.75 g/mol
LogP4.75
Rot. Bonds7

About 5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine

5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine (PubChem CID 162514041) has the molecular formula C15H14ClF5N4O and a molecular weight of 396.75 g/mol. Its IUPAC name is 5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine
PubChem CID162514041
Molecular FormulaC15H14ClF5N4O
Molecular Weight396.75 g/mol
Exact Mass396.08
IUPAC Name5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine
SMILESCC[C@@H](COc1ccc(C(F)(F)F)cn1)Nc1ncnc(C(F)F)c1Cl
InChIInChI=1S/C15H14ClF5N4O/c1-2-9(25-14-11(16)12(13(17)18)23-7-24-14)6-26-10-4-3-8(5-22-10)15(19,20)21/h3-5,7,9,13H,2,6H2,1H3,(H,23,24,25)/t9-/m0/s1
InChIKeyAFRPOYIGEMQYEV-VIFPVBQESA-N
XLogP4.75
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.75
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

(S)-6-Chloro-5-(2,6-difluoro-4-(3-(methylamino)propoxy)phenyl)-2-(pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
CID 11397947
4-(5-Chloro-2-methoxyanilino)-2-(3-pyridinyl)-6-trifluoromethylpyrimidine
CID 22732469
6-chloro-5-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-2-pyridin-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine;hydrochloride
CID 25211683
(3-Chlorophenyl)-[4-(2-sec-butoxy-4-pyridyl)pyrimidin-2-yl]amine
CID 16746118
3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]ethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 90347651
US10155760, Example 198
CID 118429983
US10266549, Example 229
CID 118905630
US10150728, Example I-322
CID 122497645
US10155760, Example 247
CID 129279901
6-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine
CID 49778462
6-(Methoxymethyl)-N-({2-[3-(trifluoromethyl)phenoxy]pyridin-3-YL}methyl)pyrimidin-4-amine
CID 56744855
US10155760, Example 192
CID 118420260

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine (CID 162514041) is 5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine is CC[C@@H](COc1ccc(C(F)(F)F)cn1)Nc1ncnc(C(F)F)c1Cl.
What is the InChIKey of 5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine?
The InChIKey is AFRPOYIGEMQYEV-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14ClF5N4O/c1-2-9(25-14-11(16)12(13(17)18)23-7-24-14)6-26-10-4-3-8(5-22-10)15(19,20)21/h3-5,7,9,13H,2,6H2,1H3,(H,23,24,25)/t9-/m0/s1.
What are the key properties of 5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine?
5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine has a molecular weight of 396.75 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 162514041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).