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

C110H110Cl2F3N31O — CID 159198322

IUPAC3-[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
SMILESCC(C)Nc1nc(Nc2ccccc2)nc(-c2ccc(Cl)cc2)n1.CC(C)Nc1nc(Nc2ccccc2)nc(-c2cccc(C#N)c2)n1.CC(C)Nc1nc(Nc2ccccc2)nc(-c2ccccc2Cl)n1.COc1ccccc1-c1nc(Nc2ccccc2)nc(NC(C)C)n1.Cc1ccccc1-c1nc(Nc2ccccc2)nc(NC(C)C)n1.FC(F)(F)CNc1nc(Nc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H18N6.C19H21N5O.C19H21N5.2C18H18ClN5.C17H14F3N5/c1-13(2)21-18-23-17(15-8-6-7-14(11-15)12-20)24-19(25-18)22-16-9-4-3-5-10-16;1-13(2)20-18-22-17(15-11-7-8-12-16(15)25-3)23-19(24-18)21-14-9-5-4-6-10-14;1-13(2)20-18-22-17(16-12-8-7-9-14(16)3)23-19(24-18)21-15-10-5-4-6-11-15;1-12(2)20-17-22-16(14-10-6-7-11-15(14)19)23-18(24-17)21-13-8-4-3-5-9-13;1-12(2)20-17-22-16(13-8-10-14(19)11-9-13)23-18(24-17)21-15-6-4-3-5-7-15;18-17(19,20)11-21-15-23-14(12-7-3-1-4-8-12)24-16(25-15)22-13-9-5-2-6-10-13/h3-11,13H,1-2H3,(H2,21,22,23,24,25);4-13H,1-3H3,(H2,20,21,22,23,24);4-13H,1-3H3,(H2,20,21,22,23,24);2*3-12H,1-2H3,(H2,20,21,22,23,24);1-10H,11H2,(H2,21,22,23,24,25)
InChIKeyKOYLHRNBVCSDAS-UHFFFAOYSA-N
MW2010.21 g/mol
LogP26.26
Rot. Bonds31

About 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

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 (PubChem CID 159198322) has the molecular formula C110H110Cl2F3N31O and a molecular weight of 2010.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID159198322
Molecular FormulaC110H110Cl2F3N31O
Molecular Weight2010.21 g/mol
Exact Mass2007.88
IUPAC Name3-[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
SMILESCC(C)Nc1nc(Nc2ccccc2)nc(-c2ccc(Cl)cc2)n1.CC(C)Nc1nc(Nc2ccccc2)nc(-c2cccc(C#N)c2)n1.CC(C)Nc1nc(Nc2ccccc2)nc(-c2ccccc2Cl)n1.COc1ccccc1-c1nc(Nc2ccccc2)nc(NC(C)C)n1.Cc1ccccc1-c1nc(Nc2ccccc2)nc(NC(C)C)n1.FC(F)(F)CNc1nc(Nc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H18N6.C19H21N5O.C19H21N5.2C18H18ClN5.C17H14F3N5/c1-13(2)21-18-23-17(15-8-6-7-14(11-15)12-20)24-19(25-18)22-16-9-4-3-5-10-16;1-13(2)20-18-22-17(15-11-7-8-12-16(15)25-3)23-19(24-18)21-14-9-5-4-6-10-14;1-13(2)20-18-22-17(16-12-8-7-9-14(16)3)23-19(24-18)21-15-10-5-4-6-11-15;1-12(2)20-17-22-16(14-10-6-7-11-15(14)19)23-18(24-17)21-13-8-4-3-5-9-13;1-12(2)20-17-22-16(13-8-10-14(19)11-9-13)23-18(24-17)21-15-6-4-3-5-7-15;18-17(19,20)11-21-15-23-14(12-7-3-1-4-8-12)24-16(25-15)22-13-9-5-2-6-10-13/h3-11,13H,1-2H3,(H2,21,22,23,24,25);4-13H,1-3H3,(H2,20,21,22,23,24);4-13H,1-3H3,(H2,20,21,22,23,24);2*3-12H,1-2H3,(H2,20,21,22,23,24);1-10H,11H2,(H2,21,22,23,24,25)
InChIKeyKOYLHRNBVCSDAS-UHFFFAOYSA-N
XLogP26.26
TPSA409.40 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002010.21
LogP ≤ 526.26
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Analyze 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 with MolForge

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Related Compounds

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;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
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
3-(2-Amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine
CID 157277860
3-(2-Amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,5-dichlorophenyl)-6-ethylpyrimidin-2-amine
CID 157861125
4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 159150095
3-(2-Amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-2-amine
CID 160508083
4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 160739537

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Nc1nc(Nc2ccccc2)nc(-c2ccc(Cl)cc2)n1.CC(C)Nc1nc(Nc2ccccc2)nc(-c2cccc(C#N)c2)n1.CC(C)Nc1nc(Nc2ccccc2)nc(-c2ccccc2Cl)n1.COc1ccccc1-c1nc(Nc2ccccc2)nc(NC(C)C)n1.Cc1ccccc1-c1nc(Nc2ccccc2)nc(NC(C)C)n1.FC(F)(F)CNc1nc(Nc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 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?
The InChIKey is KOYLHRNBVCSDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6.C19H21N5O.C19H21N5.2C18H18ClN5.C17H14F3N5/c1-13(2)21-18-23-17(15-8-6-7-14(11-15)12-20)24-19(25-18)22-16-9-4-3-5-10-16;1-13(2)20-18-22-17(15-11-7-8-12-16(15)25-3)23-19(24-18)21-14-9-5-4-6-10-14;1-13(2)20-18-22-17(16-12-8-7-9-14(16)3)23-19(24-18)21-15-10-5-4-6-11-15;1-12(2)20-17-22-16(14-10-6-7-11-15(14)19)23-18(24-17)21-13-8-4-3-5-9-13;1-12(2)20-17-22-16(13-8-10-14(19)11-9-13)23-18(24-17)21-15-6-4-3-5-7-15;18-17(19,20)11-21-15-23-14(12-7-3-1-4-8-12)24-16(25-15)22-13-9-5-2-6-10-13/h3-11,13H,1-2H3,(H2,21,22,23,24,25);4-13H,1-3H3,(H2,20,21,22,23,24);4-13H,1-3H3,(H2,20,21,22,23,24);2*3-12H,1-2H3,(H2,20,21,22,23,24);1-10H,11H2,(H2,21,22,23,24,25).
What are the key properties of 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?
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 has a molecular weight of 2010.21 g/mol, XLogP of 26.26, 31 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159198322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).