4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

C50H46F3N9 — CID 123513208

IUPAC4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccc(C(F)(F)F)cc3)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3cccnc3)n2)c1
InChIInChI=1S/C26H23F3N4.C24H23N5/c1-17-5-3-7-19(13-17)15-23-31-24(16-20-8-4-6-18(2)14-20)33-25(32-23)30-22-11-9-21(10-12-22)26(27,28)29;1-17-6-3-8-19(12-17)14-22-27-23(15-20-9-4-7-18(2)13-20)29-24(28-22)26-21-10-5-11-25-16-21/h3-14H,15-16H2,1-2H3,(H,30,31,32,33);3-13,16H,14-15H2,1-2H3,(H,26,27,28,29)
InChIKeyCDKOIQBFFMIWIT-UHFFFAOYSA-N
MW829.98 g/mol
LogP11.24
Rot. Bonds12

About 4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 123513208) has the molecular formula C50H46F3N9 and a molecular weight of 829.98 g/mol. Its IUPAC name is 4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID123513208
Molecular FormulaC50H46F3N9
Molecular Weight829.98 g/mol
Exact Mass829.38
IUPAC Name4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccc(C(F)(F)F)cc3)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3cccnc3)n2)c1
InChIInChI=1S/C26H23F3N4.C24H23N5/c1-17-5-3-7-19(13-17)15-23-31-24(16-20-8-4-6-18(2)14-20)33-25(32-23)30-22-11-9-21(10-12-22)26(27,28)29;1-17-6-3-8-19(12-17)14-22-27-23(15-20-9-4-7-18(2)13-20)29-24(28-22)26-21-10-5-11-25-16-21/h3-14H,15-16H2,1-2H3,(H,30,31,32,33);3-13,16H,14-15H2,1-2H3,(H,26,27,28,29)
InChIKeyCDKOIQBFFMIWIT-UHFFFAOYSA-N
XLogP11.24
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.98
LogP ≤ 511.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

L-790070
CID 9806182
JNJ525 TFA salt
CID 124222736
(4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyridin-2-yl)-pyrido[3,2-d]pyrimidin-4-yl]amine
CID 10151288
4-(3-ethyl-7-fluoro-2,3-dimethylindol-5-yl)-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
CID 129202770
(4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyridin-2-yl)-pyrido[2,3-d]pyrimidin-4-yl]amine
CID 46202912
N-(2-methylphenyl)-6-{[4-(2-pyridinyl)-1-piperazinyl]methyl}-1,3,5-triazine-2,4-diamine
CID 1259207
N-(4-tert-butylphenyl)-2-methyl-7-(3-(trifluoromethyl)pyridin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 11554008
(4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyridin-2-yl)-[1,8]naphthyridin-4-ylamine
CID 46203543
4-(3,3-diethyl-7-fluoro-2-methylindol-5-yl)-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
CID 129202497
4-(3-ethyl-7-fluoro-2,3-dimethylindol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 129202794
4-(3-ethyl-2,3-dimethylindol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 129202819
5-fluoro-2-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768846

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (CID 123513208) is 4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccc(C(F)(F)F)cc3)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3cccnc3)n2)c1.
What is the InChIKey of 4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is CDKOIQBFFMIWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4.C24H23N5/c1-17-5-3-7-19(13-17)15-23-31-24(16-20-8-4-6-18(2)14-20)33-25(32-23)30-22-11-9-21(10-12-22)26(27,28)29;1-17-6-3-8-19(12-17)14-22-27-23(15-20-9-4-7-18(2)13-20)29-24(28-22)26-21-10-5-11-25-16-21/h3-14H,15-16H2,1-2H3,(H,30,31,32,33);3-13,16H,14-15H2,1-2H3,(H,26,27,28,29).
What are the key properties of 4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 829.98 g/mol, XLogP of 11.24, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 123513208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).