2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine

C89H83F11N28O — CID 157189209

IUPAC2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(Nc2cc(-c3ccc(F)cc3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(-c3ccc(OC)cc3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(-c3cccc(F)c3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(-c3ccccc3F)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1
InChIInChI=1S/C23H23F2N7O.3C22H20F3N7/c1-4-20-27-22(26-13(2)17-10-7-15(24)11-18(17)25)30-23(28-20)29-21-12-19(31-32-21)14-5-8-16(33-3)9-6-14;1-3-19-27-21(26-12(2)16-9-8-15(24)10-17(16)25)30-22(28-19)29-20-11-18(31-32-20)13-4-6-14(23)7-5-13;1-3-19-27-21(26-12(2)16-8-7-15(24)10-17(16)25)30-22(28-19)29-20-11-18(31-32-20)13-5-4-6-14(23)9-13;1-3-19-27-21(26-12(2)14-9-8-13(23)10-17(14)25)30-22(28-19)29-20-11-18(31-32-20)15-6-4-5-7-16(15)24/h5-13H,4H2,1-3H3,(H3,26,27,28,29,30,31,32);3*4-12H,3H2,1-2H3,(H3,26,27,28,29,30,31,32)
InChIKeyAPMMXSIUHDWEIE-UHFFFAOYSA-N
MW1769.82 g/mol
LogP20.50
Rot. Bonds29

About 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine

2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 157189209) has the molecular formula C89H83F11N28O and a molecular weight of 1769.82 g/mol. Its IUPAC name is 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
PubChem CID157189209
Molecular FormulaC89H83F11N28O
Molecular Weight1769.82 g/mol
Exact Mass1768.71
IUPAC Name2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(Nc2cc(-c3ccc(F)cc3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(-c3ccc(OC)cc3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(-c3cccc(F)c3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(-c3ccccc3F)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1
InChIInChI=1S/C23H23F2N7O.3C22H20F3N7/c1-4-20-27-22(26-13(2)17-10-7-15(24)11-18(17)25)30-23(28-20)29-21-12-19(31-32-21)14-5-8-16(33-3)9-6-14;1-3-19-27-21(26-12(2)16-9-8-15(24)10-17(16)25)30-22(28-19)29-20-11-18(31-32-20)13-4-6-14(23)7-5-13;1-3-19-27-21(26-12(2)16-8-7-15(24)10-17(16)25)30-22(28-19)29-20-11-18(31-32-20)13-5-4-6-14(23)9-13;1-3-19-27-21(26-12(2)14-9-8-13(23)10-17(14)25)30-22(28-19)29-20-11-18(31-32-20)15-6-4-5-7-16(15)24/h5-13H,4H2,1-3H3,(H3,26,27,28,29,30,31,32);3*4-12H,3H2,1-2H3,(H3,26,27,28,29,30,31,32)
InChIKeyAPMMXSIUHDWEIE-UHFFFAOYSA-N
XLogP20.50
TPSA374.87 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001769.82
LogP ≤ 520.50
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Analyze 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
CID 49835716
2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[1-[[4-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(1,5-dimethylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methyl]-5-[(E)-prop-1-enyl]pyrazol-3-yl]-6-piperazin-1-ylpyrimidin-4-amine
CID 126732651
1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-[2-methoxy-6-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]pyrimidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]-1-[2-methoxy-6-[3-(1H-tetrazol-5-yl)phenyl]pyrimidin-4-yl]hydrazine
CID 136657374
6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 145745097
2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 145745420
2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 145745427
2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine
CID 145745437
4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine
CID 145745439
2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine
CID 145745551
4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine
CID 145745574
4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-methylpyrimidine-4,6-diamine
CID 145745597
4-N-[1-(4-fluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine
CID 145745686

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine (CID 157189209) is 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine is CCc1nc(Nc2cc(-c3ccc(F)cc3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(-c3ccc(OC)cc3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(-c3cccc(F)c3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(-c3ccccc3F)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.
What is the InChIKey of 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is APMMXSIUHDWEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7O.3C22H20F3N7/c1-4-20-27-22(26-13(2)17-10-7-15(24)11-18(17)25)30-23(28-20)29-21-12-19(31-32-21)14-5-8-16(33-3)9-6-14;1-3-19-27-21(26-12(2)16-9-8-15(24)10-17(16)25)30-22(28-19)29-20-11-18(31-32-20)13-4-6-14(23)7-5-13;1-3-19-27-21(26-12(2)16-8-7-15(24)10-17(16)25)30-22(28-19)29-20-11-18(31-32-20)13-5-4-6-14(23)9-13;1-3-19-27-21(26-12(2)14-9-8-13(23)10-17(14)25)30-22(28-19)29-20-11-18(31-32-20)15-6-4-5-7-16(15)24/h5-13H,4H2,1-3H3,(H3,26,27,28,29,30,31,32);3*4-12H,3H2,1-2H3,(H3,26,27,28,29,30,31,32).
What are the key properties of 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine?
2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1769.82 g/mol, XLogP of 20.50, 29 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 157189209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).