5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine

C18H13Cl2F3N4O — CID 90131355

IUPAC5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Oc2ccc(CCNc3ncnc(Cl)c3Cl)cc2)nc1
InChIInChI=1S/C18H13Cl2F3N4O/c19-15-16(20)26-10-27-17(15)24-8-7-11-1-4-13(5-2-11)28-14-6-3-12(9-25-14)18(21,22)23/h1-6,9-10H,7-8H2,(H,24,26,27)
InChIKeyVIUASSOCAHQLTL-UHFFFAOYSA-N
MW429.23 g/mol
LogP5.64
Rot. Bonds6

About 5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine

5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine (PubChem CID 90131355) has the molecular formula C18H13Cl2F3N4O and a molecular weight of 429.23 g/mol. Its IUPAC name is 5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
PubChem CID90131355
Molecular FormulaC18H13Cl2F3N4O
Molecular Weight429.23 g/mol
Exact Mass428.04
IUPAC Name5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Oc2ccc(CCNc3ncnc(Cl)c3Cl)cc2)nc1
InChIInChI=1S/C18H13Cl2F3N4O/c19-15-16(20)26-10-27-17(15)24-8-7-11-1-4-13(5-2-11)28-14-6-3-12(9-25-14)18(21,22)23/h1-6,9-10H,7-8H2,(H,24,26,27)
InChIKeyVIUASSOCAHQLTL-UHFFFAOYSA-N
XLogP5.64
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.23
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]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

5-chloro-6-(trifluoromethyl)-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine;4,5-dichloro-6-(trifluoromethyl)pyrimidine;2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine
CID 158592691
5,6-dichloro-N-[2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
CID 90131350
5,6-dimethyl-N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pyrimidin-4-amine
CID 155471346
5-chloro-N-[2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]-6-ethylpyrimidin-4-amine
CID 90131212
6-chloro-N-[2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
CID 58174092
5-chloro-6-ethyl-N-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
CID 90131349
5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine
CID 144611754
N-(5-chloro-6-ethylpyrimidin-4-yl)-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]methanesulfinamide
CID 155471230
N-[2-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 58338071
2-hydroxy-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]butanenitrile
CID 122698282
5-chloro-6-(1-fluoroethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine
CID 11079009
N-(3-chloro-2-ethyl-4-pyridinyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide
CID 68686216

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine?
The IUPAC name of 5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine (CID 90131355) is 5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine is FC(F)(F)c1ccc(Oc2ccc(CCNc3ncnc(Cl)c3Cl)cc2)nc1.
What is the InChIKey of 5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine?
The InChIKey is VIUASSOCAHQLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F3N4O/c19-15-16(20)26-10-27-17(15)24-8-7-11-1-4-13(5-2-11)28-14-6-3-12(9-25-14)18(21,22)23/h1-6,9-10H,7-8H2,(H,24,26,27).
What are the key properties of 5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine?
5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine has a molecular weight of 429.23 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 90131355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).