(1R)-1-(2,6-difluorophenyl)-2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol

C18H13F5N4O — CID 100625958

IUPAC(1R)-1-(2,6-difluorophenyl)-2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESO[C@@H](CNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1c(F)cccc1F
InChIInChI=1S/C18H13F5N4O/c19-11-2-1-3-12(20)16(11)13(28)9-25-15-8-14(18(21,22)23)26-17(27-15)10-4-6-24-7-5-10/h1-8,13,28H,9H2,(H,25,26,27)/t13-/m0/s1
InChIKeyYVRPSHZISMXVNN-ZDUSSCGKSA-N
MW396.32 g/mol
LogP3.98
Rot. Bonds5

About (1R)-1-(2,6-difluorophenyl)-2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol

(1R)-1-(2,6-difluorophenyl)-2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol (PubChem CID 100625958) has the molecular formula C18H13F5N4O and a molecular weight of 396.32 g/mol. Its IUPAC name is (1R)-1-(2,6-difluorophenyl)-2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(2,6-difluorophenyl)-2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
PubChem CID100625958
Molecular FormulaC18H13F5N4O
Molecular Weight396.32 g/mol
Exact Mass396.10
IUPAC Name(1R)-1-(2,6-difluorophenyl)-2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESO[C@@H](CNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1c(F)cccc1F
InChIInChI=1S/C18H13F5N4O/c19-11-2-1-3-12(20)16(11)13(28)9-25-15-8-14(18(21,22)23)26-17(27-15)10-4-6-24-7-5-10/h1-8,13,28H,9H2,(H,25,26,27)/t13-/m0/s1
InChIKeyYVRPSHZISMXVNN-ZDUSSCGKSA-N
XLogP3.98
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R)-1-(2,6-difluorophenyl)-2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol 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

2,6-difluoro-N-[2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 133352853
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 114562246
N-[2-(3-methylpiperidin-1-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133328250
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133385618
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133310478
N-cyclopent-3-en-1-yl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133362287
N-[2-(5-bromofuran-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133375052
N,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 133317467
1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol
CID 48931327
1-(2,6-difluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62811525
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133497972
2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 133318458

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-difluorophenyl)-2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of (1R)-1-(2,6-difluorophenyl)-2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol (CID 100625958) is (1R)-1-(2,6-difluorophenyl)-2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for (1R)-1-(2,6-difluorophenyl)-2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for (1R)-1-(2,6-difluorophenyl)-2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol is O[C@@H](CNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1c(F)cccc1F.
What is the InChIKey of (1R)-1-(2,6-difluorophenyl)-2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is YVRPSHZISMXVNN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H13F5N4O/c19-11-2-1-3-12(20)16(11)13(28)9-25-15-8-14(18(21,22)23)26-17(27-15)10-4-6-24-7-5-10/h1-8,13,28H,9H2,(H,25,26,27)/t13-/m0/s1.
What are the key properties of (1R)-1-(2,6-difluorophenyl)-2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
(1R)-1-(2,6-difluorophenyl)-2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 396.32 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-difluorophenyl)-2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 100625958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).