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

C40H37Cl3F6N8O2 — CID 157162795

IUPAC5-chloro-6-ethyl-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine;4,5-dichloro-6-ethylpyrimidine;2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine
SMILESCCc1ncnc(Cl)c1Cl.CCc1ncnc(NCCc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1Cl.NCCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H18ClF3N4O.C14H13F3N2O.C6H6Cl2N2/c1-2-16-18(21)19(28-12-27-16)25-10-9-13-3-6-15(7-4-13)29-17-8-5-14(11-26-17)20(22,23)24;15-14(16,17)11-3-6-13(19-9-11)20-12-4-1-10(2-5-12)7-8-18;1-2-4-5(7)6(8)10-3-9-4/h3-8,11-12H,2,9-10H2,1H3,(H,25,27,28);1-6,9H,7-8,18H2;3H,2H2,1H3
InChIKeyAMOGZDATEJXMIU-UHFFFAOYSA-N
MW882.14 g/mol
LogP11.29
Rot. Bonds12

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

5-chloro-6-ethyl-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine;4,5-dichloro-6-ethylpyrimidine;2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine (PubChem CID 157162795) has the molecular formula C40H37Cl3F6N8O2 and a molecular weight of 882.14 g/mol. Its IUPAC name is 5-chloro-6-ethyl-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine;4,5-dichloro-6-ethylpyrimidine;2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine.

Molecular Properties

Compound Name5-chloro-6-ethyl-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine;4,5-dichloro-6-ethylpyrimidine;2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine
PubChem CID157162795
Molecular FormulaC40H37Cl3F6N8O2
Molecular Weight882.14 g/mol
Exact Mass880.20
IUPAC Name5-chloro-6-ethyl-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine;4,5-dichloro-6-ethylpyrimidine;2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine
SMILESCCc1ncnc(Cl)c1Cl.CCc1ncnc(NCCc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1Cl.NCCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H18ClF3N4O.C14H13F3N2O.C6H6Cl2N2/c1-2-16-18(21)19(28-12-27-16)25-10-9-13-3-6-15(7-4-13)29-17-8-5-14(11-26-17)20(22,23)24;15-14(16,17)11-3-6-13(19-9-11)20-12-4-1-10(2-5-12)7-8-18;1-2-4-5(7)6(8)10-3-9-4/h3-8,11-12H,2,9-10H2,1H3,(H,25,27,28);1-6,9H,7-8,18H2;3H,2H2,1H3
InChIKeyAMOGZDATEJXMIU-UHFFFAOYSA-N
XLogP11.29
TPSA133.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.14
LogP ≤ 511.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-chloro-6-ethyl-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine;4,5-dichloro-6-ethylpyrimidine;2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine with MolForge

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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
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
4-N-[5-chloro-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405528
6-N-(4-chlorophenyl)-4-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]pyrimidine-4,6-diamine
CID 134154555
6-N-(3-chlorophenyl)-4-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]pyrimidine-4,6-diamine
CID 134155152
(1R)-N'-[5-chloro-2-(5-chloro-2-pyridinyl)-6-methylpyrimidin-4-yl]-1-phenyl-N-[4-(4-propoxyphenyl)butyl]ethane-1,2-diamine
CID 71602648
6-Chloro-5-(4-(3-(dimethylamino)propoxy)-2,6-difluorophenyl)-2-(pyridin-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 90086209
2-(5-chloro-2-fluoro-phenyl)-N7-[(4-methoxyphenyl)methyl]-N4-(4-pyridyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 11989447
2-(5-chloro-2-fluoro-phenyl)-N4-(3-fluoro-4-pyridyl)-N7-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 11989449
N~4~-{[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl}-6-methyl-2,4-pyrimidinediamine
CID 42292596
5-chloro-6-ethyl-N-[4-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]cyclohexyl]pyrimidin-4-amine
CID 9847859
6-chloro-5-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-2-pyridin-2-yl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
CID 11214235

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine;4,5-dichloro-6-ethylpyrimidine;2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine?
The IUPAC name of 5-chloro-6-ethyl-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine;4,5-dichloro-6-ethylpyrimidine;2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine (CID 157162795) is 5-chloro-6-ethyl-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine;4,5-dichloro-6-ethylpyrimidine;2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine.
What is the SMILES notation for 5-chloro-6-ethyl-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine;4,5-dichloro-6-ethylpyrimidine;2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine?
The canonical SMILES for 5-chloro-6-ethyl-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine;4,5-dichloro-6-ethylpyrimidine;2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine is CCc1ncnc(Cl)c1Cl.CCc1ncnc(NCCc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1Cl.NCCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 5-chloro-6-ethyl-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine;4,5-dichloro-6-ethylpyrimidine;2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine?
The InChIKey is AMOGZDATEJXMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N4O.C14H13F3N2O.C6H6Cl2N2/c1-2-16-18(21)19(28-12-27-16)25-10-9-13-3-6-15(7-4-13)29-17-8-5-14(11-26-17)20(22,23)24;15-14(16,17)11-3-6-13(19-9-11)20-12-4-1-10(2-5-12)7-8-18;1-2-4-5(7)6(8)10-3-9-4/h3-8,11-12H,2,9-10H2,1H3,(H,25,27,28);1-6,9H,7-8,18H2;3H,2H2,1H3.
What are the key properties of 5-chloro-6-ethyl-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine;4,5-dichloro-6-ethylpyrimidine;2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine?
5-chloro-6-ethyl-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine;4,5-dichloro-6-ethylpyrimidine;2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine has a molecular weight of 882.14 g/mol, XLogP of 11.29, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine;4,5-dichloro-6-ethylpyrimidine;2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine is sourced from PubChem (CID 157162795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).