6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(2,5-dichlorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;methane

C50H43Cl4F4N15 — CID 159897076

IUPAC6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(2,5-dichlorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;methane
SMILESC.Cc1ccc(Nc2nc(N)nc(-c3cc(C(F)(F)F)ccc3Cl)n2)cc1.Cc1ccc(Nc2nc(N)nc(-c3cc(Cl)ccc3Cl)n2)cc1.Cc1ccc(Nc2nc(N)nc(-c3cc(Cl)ccc3F)n2)cc1
InChIInChI=1S/C17H13ClF3N5.C16H13Cl2N5.C16H13ClFN5.CH4/c1-9-2-5-11(6-3-9)23-16-25-14(24-15(22)26-16)12-8-10(17(19,20)21)4-7-13(12)18;2*1-9-2-5-11(6-3-9)20-16-22-14(21-15(19)23-16)12-8-10(17)4-7-13(12)18;/h2-8H,1H3,(H3,22,23,24,25,26);2*2-8H,1H3,(H3,19,20,21,22,23);1H4
InChIKeyNVMBRTSDJCEBJR-UHFFFAOYSA-N
MW1071.80 g/mol
LogP13.93
Rot. Bonds9

About 6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(2,5-dichlorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;methane

6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(2,5-dichlorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;methane (PubChem CID 159897076) has the molecular formula C50H43Cl4F4N15 and a molecular weight of 1071.80 g/mol. Its IUPAC name is 6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(2,5-dichlorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;methane.

Molecular Properties

Compound Name6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(2,5-dichlorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;methane
PubChem CID159897076
Molecular FormulaC50H43Cl4F4N15
Molecular Weight1071.80 g/mol
Exact Mass1069.25
IUPAC Name6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(2,5-dichlorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;methane
SMILESC.Cc1ccc(Nc2nc(N)nc(-c3cc(C(F)(F)F)ccc3Cl)n2)cc1.Cc1ccc(Nc2nc(N)nc(-c3cc(Cl)ccc3Cl)n2)cc1.Cc1ccc(Nc2nc(N)nc(-c3cc(Cl)ccc3F)n2)cc1
InChIInChI=1S/C17H13ClF3N5.C16H13Cl2N5.C16H13ClFN5.CH4/c1-9-2-5-11(6-3-9)23-16-25-14(24-15(22)26-16)12-8-10(17(19,20)21)4-7-13(12)18;2*1-9-2-5-11(6-3-9)20-16-22-14(21-15(19)23-16)12-8-10(17)4-7-13(12)18;/h2-8H,1H3,(H3,22,23,24,25,26);2*2-8H,1H3,(H3,19,20,21,22,23);1H4
InChIKeyNVMBRTSDJCEBJR-UHFFFAOYSA-N
XLogP13.93
TPSA230.16 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001071.80
LogP ≤ 513.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(2,5-dichlorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;methane with MolForge

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Related Compounds

6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 89433035
1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 134618163
6-chloro-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80759434
2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 12655286
2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol
CID 826975
1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene
CID 162568601
6-(2,5-dichlorophenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11313962
6-(5-chloro-2-methylphenyl)-2-N-[4-[(dimethylamino)methyl]phenyl]-1,3,5-triazine-2,4-diamine
CID 10155924
5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide
CID 10157990
4-[[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol
CID 10246865
2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
CID 137035550
6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80762662

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(2,5-dichlorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;methane?
The IUPAC name of 6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(2,5-dichlorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;methane (CID 159897076) is 6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(2,5-dichlorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;methane.
What is the SMILES notation for 6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(2,5-dichlorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;methane?
The canonical SMILES for 6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(2,5-dichlorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;methane is C.Cc1ccc(Nc2nc(N)nc(-c3cc(C(F)(F)F)ccc3Cl)n2)cc1.Cc1ccc(Nc2nc(N)nc(-c3cc(Cl)ccc3Cl)n2)cc1.Cc1ccc(Nc2nc(N)nc(-c3cc(Cl)ccc3F)n2)cc1.
What is the InChIKey of 6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(2,5-dichlorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;methane?
The InChIKey is NVMBRTSDJCEBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N5.C16H13Cl2N5.C16H13ClFN5.CH4/c1-9-2-5-11(6-3-9)23-16-25-14(24-15(22)26-16)12-8-10(17(19,20)21)4-7-13(12)18;2*1-9-2-5-11(6-3-9)20-16-22-14(21-15(19)23-16)12-8-10(17)4-7-13(12)18;/h2-8H,1H3,(H3,22,23,24,25,26);2*2-8H,1H3,(H3,19,20,21,22,23);1H4.
What are the key properties of 6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(2,5-dichlorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;methane?
6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(2,5-dichlorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;methane has a molecular weight of 1071.80 g/mol, XLogP of 13.93, 9 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(2,5-dichlorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;methane is sourced from PubChem (CID 159897076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).