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

C38H27Cl3F12N8O2 — CID 158592691

IUPAC5-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
SMILESFC(F)(F)c1ccc(Oc2ccc(CCNc3ncnc(C(F)(F)F)c3Cl)cc2)nc1.FC(F)(F)c1ncnc(Cl)c1Cl.NCCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C19H13ClF6N4O.C14H13F3N2O.C5HCl2F3N2/c20-15-16(19(24,25)26)29-10-30-17(15)27-8-7-11-1-4-13(5-2-11)31-14-6-3-12(9-28-14)18(21,22)23;15-14(16,17)11-3-6-13(19-9-11)20-12-4-1-10(2-5-12)7-8-18;6-2-3(5(8,9)10)11-1-12-4(2)7/h1-6,9-10H,7-8H2,(H,27,29,30);1-6,9H,7-8,18H2;1H
InChIKeyHUQFQCRQJRZOCK-UHFFFAOYSA-N
MW962.02 g/mol
LogP12.21
Rot. Bonds10

About 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

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 (PubChem CID 158592691) has the molecular formula C38H27Cl3F12N8O2 and a molecular weight of 962.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID158592691
Molecular FormulaC38H27Cl3F12N8O2
Molecular Weight962.02 g/mol
Exact Mass960.11
IUPAC Name5-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
SMILESFC(F)(F)c1ccc(Oc2ccc(CCNc3ncnc(C(F)(F)F)c3Cl)cc2)nc1.FC(F)(F)c1ncnc(Cl)c1Cl.NCCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C19H13ClF6N4O.C14H13F3N2O.C5HCl2F3N2/c20-15-16(19(24,25)26)29-10-30-17(15)27-8-7-11-1-4-13(5-2-11)31-14-6-3-12(9-28-14)18(21,22)23;15-14(16,17)11-3-6-13(19-9-11)20-12-4-1-10(2-5-12)7-8-18;6-2-3(5(8,9)10)11-1-12-4(2)7/h1-6,9-10H,7-8H2,(H,27,29,30);1-6,9H,7-8,18H2;1H
InChIKeyHUQFQCRQJRZOCK-UHFFFAOYSA-N
XLogP12.21
TPSA133.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.02
LogP ≤ 512.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)c1ccc(Oc2ccc(CCNc3ncnc(C(F)(F)F)c3Cl)cc2)nc1.FC(F)(F)c1ncnc(Cl)c1Cl.NCCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 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?
The InChIKey is HUQFQCRQJRZOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF6N4O.C14H13F3N2O.C5HCl2F3N2/c20-15-16(19(24,25)26)29-10-30-17(15)27-8-7-11-1-4-13(5-2-11)31-14-6-3-12(9-28-14)18(21,22)23;15-14(16,17)11-3-6-13(19-9-11)20-12-4-1-10(2-5-12)7-8-18;6-2-3(5(8,9)10)11-1-12-4(2)7/h1-6,9-10H,7-8H2,(H,27,29,30);1-6,9H,7-8,18H2;1H.
What are the key properties of 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?
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 has a molecular weight of 962.02 g/mol, XLogP of 12.21, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158592691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).