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

C87H96ClF13N20O2 — CID 157068955

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;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
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(C)c(F)cc2C)nc(N)n1.CNc1cc(-c2cc(Cl)c(C(F)(F)F)cc2C)nc(N)n1
InChIInChI=1S/C17H23N3O.C16H21N3O.C14H11F6N3.C14H14F3N3.C13H12ClF3N4.C13H15FN4/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;1-7-5-10(14)8(2)4-9(7)11-6-12(16-3)18-13(15)17-11/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);4-6H,1-3H3,(H3,15,16,17,18)
InChIKeyACEWTMZRTOZYLM-UHFFFAOYSA-N
MW1736.29 g/mol
LogP21.23
Rot. Bonds15

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;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine

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 (PubChem CID 157068955) has the molecular formula C87H96ClF13N20O2 and a molecular weight of 1736.29 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;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine.

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;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID157068955
Molecular FormulaC87H96ClF13N20O2
Molecular Weight1736.29 g/mol
Exact Mass1734.75
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;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
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(C)c(F)cc2C)nc(N)n1.CNc1cc(-c2cc(Cl)c(C(F)(F)F)cc2C)nc(N)n1
InChIInChI=1S/C17H23N3O.C16H21N3O.C14H11F6N3.C14H14F3N3.C13H12ClF3N4.C13H15FN4/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;1-7-5-10(14)8(2)4-9(7)11-6-12(16-3)18-13(15)17-11/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);4-6H,1-3H3,(H3,15,16,17,18)
InChIKeyACEWTMZRTOZYLM-UHFFFAOYSA-N
XLogP21.23
TPSA353.32 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001736.29
LogP ≤ 521.23
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

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;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine with MolForge

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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;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine?
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;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine (CID 157068955) 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;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine.
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;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine?
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;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine 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(C)c(F)cc2C)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;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is ACEWTMZRTOZYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.C16H21N3O.C14H11F6N3.C14H14F3N3.C13H12ClF3N4.C13H15FN4/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;1-7-5-10(14)8(2)4-9(7)11-6-12(16-3)18-13(15)17-11/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);4-6H,1-3H3,(H3,15,16,17,18).
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;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine?
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 has a molecular weight of 1736.29 g/mol, XLogP of 21.23, 15 rotatable bonds, 8 hydrogen bond donors, and 22 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;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 157068955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).