4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine

C74H81ClF12N16O2 — CID 159246077

IUPAC4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCCc1cc(-c2cc(C(C)(C)C)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C(C)C)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)nc(N)n1.CCc1cc(-c2cc(C(F)(F)F)ccc2C)nc(N)n1.CNc1cc(-c2cc(Cl)c(C(F)(F)F)cc2C)nc(N)n1
InChIInChI=1S/C17H23N3O.C16H21N3O.C14H11F6N3.C14H14F3N3.C13H12ClF3N4/c1-6-12-10-14(20-16(18)19-12)13-9-11(17(2,3)4)7-8-15(13)21-5;1-5-12-9-14(19-16(17)18-12)13-8-11(10(2)3)6-7-15(13)20-4;1-2-8-6-11(23-12(21)22-8)9-5-7(13(15,16)17)3-4-10(9)14(18,19)20;1-3-10-7-12(20-13(18)19-10)11-6-9(14(15,16)17)5-4-8(11)2;1-6-3-8(13(15,16)17)9(14)4-7(6)10-5-11(19-2)21-12(18)20-10/h7-10H,6H2,1-5H3,(H2,18,19,20);6-10H,5H2,1-4H3,(H2,17,18,19);3-6H,2H2,1H3,(H2,21,22,23);4-7H,3H2,1-2H3,(H2,18,19,20);3-5H,1-2H3,(H3,18,19,20,21)
InChIKeyKURVZRMIUXSUQI-UHFFFAOYSA-N
MW1490.00 g/mol
LogP18.70
Rot. Bonds13

About 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine

4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 159246077) has the molecular formula C74H81ClF12N16O2 and a molecular weight of 1490.00 g/mol. Its IUPAC name is 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID159246077
Molecular FormulaC74H81ClF12N16O2
Molecular Weight1490.00 g/mol
Exact Mass1488.62
IUPAC Name4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCCc1cc(-c2cc(C(C)(C)C)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C(C)C)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)nc(N)n1.CCc1cc(-c2cc(C(F)(F)F)ccc2C)nc(N)n1.CNc1cc(-c2cc(Cl)c(C(F)(F)F)cc2C)nc(N)n1
InChIInChI=1S/C17H23N3O.C16H21N3O.C14H11F6N3.C14H14F3N3.C13H12ClF3N4/c1-6-12-10-14(20-16(18)19-12)13-9-11(17(2,3)4)7-8-15(13)21-5;1-5-12-9-14(19-16(17)18-12)13-8-11(10(2)3)6-7-15(13)20-4;1-2-8-6-11(23-12(21)22-8)9-5-7(13(15,16)17)3-4-10(9)14(18,19)20;1-3-10-7-12(20-13(18)19-10)11-6-9(14(15,16)17)5-4-8(11)2;1-6-3-8(13(15,16)17)9(14)4-7(6)10-5-11(19-2)21-12(18)20-10/h7-10H,6H2,1-5H3,(H2,18,19,20);6-10H,5H2,1-4H3,(H2,17,18,19);3-6H,2H2,1H3,(H2,21,22,23);4-7H,3H2,1-2H3,(H2,18,19,20);3-5H,1-2H3,(H3,18,19,20,21)
InChIKeyKURVZRMIUXSUQI-UHFFFAOYSA-N
XLogP18.70
TPSA289.49 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001490.00
LogP ≤ 518.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine with MolForge

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Related Compounds

4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 157068955
3-(2-amino-6-ethylpyrimidin-4-yl)-4-fluorobenzonitrile;4-(5-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-(2,5-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-[5-fluoro-2-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 157251782
4-[2,5-Bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine
CID 157472919
4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 157488008
4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine
CID 157658692
CID 158112884
CID 158112884
4-(4-Chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(4-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(4-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(2,2-dimethylpropyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 158191294
1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 158223644
Tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline
CID 158231344
tert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 158402779
4-(4-Chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 158538763
4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 158961874

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 159246077) is 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine is CCc1cc(-c2cc(C(C)(C)C)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C(C)C)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)nc(N)n1.CCc1cc(-c2cc(C(F)(F)F)ccc2C)nc(N)n1.CNc1cc(-c2cc(Cl)c(C(F)(F)F)cc2C)nc(N)n1.
What is the InChIKey of 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is KURVZRMIUXSUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.C16H21N3O.C14H11F6N3.C14H14F3N3.C13H12ClF3N4/c1-6-12-10-14(20-16(18)19-12)13-9-11(17(2,3)4)7-8-15(13)21-5;1-5-12-9-14(19-16(17)18-12)13-8-11(10(2)3)6-7-15(13)20-4;1-2-8-6-11(23-12(21)22-8)9-5-7(13(15,16)17)3-4-10(9)14(18,19)20;1-3-10-7-12(20-13(18)19-10)11-6-9(14(15,16)17)5-4-8(11)2;1-6-3-8(13(15,16)17)9(14)4-7(6)10-5-11(19-2)21-12(18)20-10/h7-10H,6H2,1-5H3,(H2,18,19,20);6-10H,5H2,1-4H3,(H2,17,18,19);3-6H,2H2,1H3,(H2,21,22,23);4-7H,3H2,1-2H3,(H2,18,19,20);3-5H,1-2H3,(H3,18,19,20,21).
What are the key properties of 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 1490.00 g/mol, XLogP of 18.70, 13 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 159246077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).