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

C62H57Cl4F6N17O — CID 157251782

IUPAC3-(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
SMILESCCc1cc(-c2cc(C#N)ccc2F)nc(N)n1.CCc1cc(-c2cc(Cl)ccc2Cl)nc(N)n1.CCc1cc(-c2cc(Cl)ccc2F)nc(N)n1.CCc1cc(-c2cc(OC)ccc2Cl)nc(N)n1.CNc1cc(-c2cc(F)ccc2C(F)(F)F)nc(N)n1
InChIInChI=1S/C13H14ClN3O.C13H11FN4.C12H11Cl2N3.C12H11ClFN3.C12H10F4N4/c1-3-8-6-12(17-13(15)16-8)10-7-9(18-2)4-5-11(10)14;1-2-9-6-12(18-13(16)17-9)10-5-8(7-15)3-4-11(10)14;2*1-2-8-6-11(17-12(15)16-8)9-5-7(13)3-4-10(9)14;1-18-10-5-9(19-11(17)20-10)7-4-6(13)2-3-8(7)12(14,15)16/h4-7H,3H2,1-2H3,(H2,15,16,17);3-6H,2H2,1H3,(H2,16,17,18);2*3-6H,2H2,1H3,(H2,15,16,17);2-5H,1H3,(H3,17,18,19,20)
InChIKeyAWKUMYCWOJXIJE-UHFFFAOYSA-N
MW1312.06 g/mol
LogP14.85
Rot. Bonds11

About 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

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 (PubChem CID 157251782) has the molecular formula C62H57Cl4F6N17O and a molecular weight of 1312.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID157251782
Molecular FormulaC62H57Cl4F6N17O
Molecular Weight1312.06 g/mol
Exact Mass1309.36
IUPAC Name3-(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
SMILESCCc1cc(-c2cc(C#N)ccc2F)nc(N)n1.CCc1cc(-c2cc(Cl)ccc2Cl)nc(N)n1.CCc1cc(-c2cc(Cl)ccc2F)nc(N)n1.CCc1cc(-c2cc(OC)ccc2Cl)nc(N)n1.CNc1cc(-c2cc(F)ccc2C(F)(F)F)nc(N)n1
InChIInChI=1S/C13H14ClN3O.C13H11FN4.C12H11Cl2N3.C12H11ClFN3.C12H10F4N4/c1-3-8-6-12(17-13(15)16-8)10-7-9(18-2)4-5-11(10)14;1-2-9-6-12(18-13(16)17-9)10-5-8(7-15)3-4-11(10)14;2*1-2-8-6-11(17-12(15)16-8)9-5-7(13)3-4-10(9)14;1-18-10-5-9(19-11(17)20-10)7-4-6(13)2-3-8(7)12(14,15)16/h4-7H,3H2,1-2H3,(H2,15,16,17);3-6H,2H2,1H3,(H2,16,17,18);2*3-6H,2H2,1H3,(H2,15,16,17);2-5H,1H3,(H3,17,18,19,20)
InChIKeyAWKUMYCWOJXIJE-UHFFFAOYSA-N
XLogP14.85
TPSA304.05 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001312.06
LogP ≤ 514.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 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 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
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
3-(2-Amino-6-ethylpyrimidin-4-yl)-4-fluorobenzonitrile;4-(2-chloro-5-fluorophenyl)-6-ethylpyrimidin-2-amine;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;4-ethyl-6-[5-fluoro-2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 157644721
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
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
3-[4-anilino-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzonitrile;6-(2-chlorophenyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(4-chlorophenyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N,6-diphenyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine;6-(2-methoxyphenyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-methylphenyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 159198322
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
2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile;6-(2,5-dichloro-4-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine;6-(4,5-dichloro-2-methylphenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine;6-(4-methoxy-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine;4-N-methyl-6-(2,4,5-trimethylphenyl)pyrimidine-2,4-diamine
CID 160004647
6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;6-(2,5-dichloro-4-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine;6-(4,5-dichloro-2-methylphenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 161074343
3-(2-amino-6-ethylpyrimidin-4-yl)-4-fluorobenzonitrile;4-(2-chloro-5-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-(2,5-dimethoxyphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(5-fluoro-2-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-methylphenyl)pyrimidin-2-amine;6-[5-fluoro-2-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 161620908
4-(5-Chloro-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(2,5-dimethoxyphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(5-fluoro-2-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-methylphenyl)pyrimidin-2-amine
CID 161833392
CID 167561095
CID 167561095

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(-c2cc(C#N)ccc2F)nc(N)n1.CCc1cc(-c2cc(Cl)ccc2Cl)nc(N)n1.CCc1cc(-c2cc(Cl)ccc2F)nc(N)n1.CCc1cc(-c2cc(OC)ccc2Cl)nc(N)n1.CNc1cc(-c2cc(F)ccc2C(F)(F)F)nc(N)n1.
What is the InChIKey of 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?
The InChIKey is AWKUMYCWOJXIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O.C13H11FN4.C12H11Cl2N3.C12H11ClFN3.C12H10F4N4/c1-3-8-6-12(17-13(15)16-8)10-7-9(18-2)4-5-11(10)14;1-2-9-6-12(18-13(16)17-9)10-5-8(7-15)3-4-11(10)14;2*1-2-8-6-11(17-12(15)16-8)9-5-7(13)3-4-10(9)14;1-18-10-5-9(19-11(17)20-10)7-4-6(13)2-3-8(7)12(14,15)16/h4-7H,3H2,1-2H3,(H2,15,16,17);3-6H,2H2,1H3,(H2,16,17,18);2*3-6H,2H2,1H3,(H2,15,16,17);2-5H,1H3,(H3,17,18,19,20).
What are the key properties of 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?
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 has a molecular weight of 1312.06 g/mol, XLogP of 14.85, 11 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157251782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).