2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-propyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate

C73H81F11N28O2 — CID 158591101

IUPAC2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-propyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate
SMILESCCCc1cc(Nc2nc(CC)nc(NC(C)c3ccc(F)cc3F)n2)n[nH]1.CCOC(=O)c1cc(Nc2nc(CC)nc(NC(C)c3ccc(F)cc3F)n2)n[nH]1.CCc1nc(Nc2cc(C(F)(F)F)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(CC)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1
InChIInChI=1S/C19H21F2N7O2.C19H23F2N7.C18H21F2N7.C17H16F5N7/c1-4-15-23-18(22-10(3)12-7-6-11(20)8-13(12)21)26-19(24-15)25-16-9-14(27-28-16)17(29)30-5-2;1-4-6-13-10-17(28-27-13)25-19-24-16(5-2)23-18(26-19)22-11(3)14-8-7-12(20)9-15(14)21;1-4-12-9-16(27-26-12)24-18-23-15(5-2)22-17(25-18)21-10(3)13-7-6-11(19)8-14(13)20;1-3-13-24-15(23-8(2)10-5-4-9(18)6-11(10)19)27-16(25-13)26-14-7-12(28-29-14)17(20,21)22/h6-10H,4-5H2,1-3H3,(H3,22,23,24,25,26,27,28);7-11H,4-6H2,1-3H3,(H3,22,23,24,25,26,27,28);6-10H,4-5H2,1-3H3,(H3,21,22,23,24,25,26,27);4-8H,3H2,1-2H3,(H3,23,24,25,26,27,28,29)
InChIKeyHULKODJNFOCRPM-UHFFFAOYSA-N
MW1591.62 g/mol
LogP16.12
Rot. Bonds29

About 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-propyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate

2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-propyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate (PubChem CID 158591101) has the molecular formula C73H81F11N28O2 and a molecular weight of 1591.62 g/mol. Its IUPAC name is 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-propyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-propyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate
PubChem CID158591101
Molecular FormulaC73H81F11N28O2
Molecular Weight1591.62 g/mol
Exact Mass1590.69
IUPAC Name2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-propyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate
SMILESCCCc1cc(Nc2nc(CC)nc(NC(C)c3ccc(F)cc3F)n2)n[nH]1.CCOC(=O)c1cc(Nc2nc(CC)nc(NC(C)c3ccc(F)cc3F)n2)n[nH]1.CCc1nc(Nc2cc(C(F)(F)F)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(CC)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1
InChIInChI=1S/C19H21F2N7O2.C19H23F2N7.C18H21F2N7.C17H16F5N7/c1-4-15-23-18(22-10(3)12-7-6-11(20)8-13(12)21)26-19(24-15)25-16-9-14(27-28-16)17(29)30-5-2;1-4-6-13-10-17(28-27-13)25-19-24-16(5-2)23-18(26-19)22-11(3)14-8-7-12(20)9-15(14)21;1-4-12-9-16(27-26-12)24-18-23-15(5-2)22-17(25-18)21-10(3)13-7-6-11(19)8-14(13)20;1-3-13-24-15(23-8(2)10-5-4-9(18)6-11(10)19)27-16(25-13)26-14-7-12(28-29-14)17(20,21)22/h6-10H,4-5H2,1-3H3,(H3,22,23,24,25,26,27,28);7-11H,4-6H2,1-3H3,(H3,22,23,24,25,26,27,28);6-10H,4-5H2,1-3H3,(H3,21,22,23,24,25,26,27);4-8H,3H2,1-2H3,(H3,23,24,25,26,27,28,29)
InChIKeyHULKODJNFOCRPM-UHFFFAOYSA-N
XLogP16.12
TPSA391.94 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds29
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001591.62
LogP ≤ 516.12
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Analyze 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-propyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate with MolForge

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Related Compounds

ethyl 3-[[4-[1-(4-fluorophenyl)ethylamino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate
CID 49835785
ethyl 3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate
CID 145745203
ethyl 3-[[4-amino-6-[1-(2,4-difluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate
CID 145745481
ethyl 3-[[6-[1-(2,4-difluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate
CID 145745485
ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate
CID 145745492
ethyl 3-[[2-amino-6-[1-(2,4-difluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate
CID 145745549
ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate
CID 145745613
ethyl 3-[[4-amino-6-[1-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate
CID 145745823
ethyl 3-[[4-cyclopropyl-6-[1-(2,4-difluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate
CID 145745842
4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylpyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-2-methyl-6-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-2-methyl-6-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine;ethyl 3-[[6-[1-(2,4-difluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate
CID 157200684
4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine;ethyl 3-[[6-[1-(2,4-difluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate
CID 157678294
2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-propyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;ethyl 3-[[4-amino-6-[1-(2,4-difluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate
CID 157926537

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-propyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate?
The IUPAC name of 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-propyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate (CID 158591101) is 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-propyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-propyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate?
The canonical SMILES for 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-propyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate is CCCc1cc(Nc2nc(CC)nc(NC(C)c3ccc(F)cc3F)n2)n[nH]1.CCOC(=O)c1cc(Nc2nc(CC)nc(NC(C)c3ccc(F)cc3F)n2)n[nH]1.CCc1nc(Nc2cc(C(F)(F)F)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(CC)[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-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-propyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate?
The InChIKey is HULKODJNFOCRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N7O2.C19H23F2N7.C18H21F2N7.C17H16F5N7/c1-4-15-23-18(22-10(3)12-7-6-11(20)8-13(12)21)26-19(24-15)25-16-9-14(27-28-16)17(29)30-5-2;1-4-6-13-10-17(28-27-13)25-19-24-16(5-2)23-18(26-19)22-11(3)14-8-7-12(20)9-15(14)21;1-4-12-9-16(27-26-12)24-18-23-15(5-2)22-17(25-18)21-10(3)13-7-6-11(19)8-14(13)20;1-3-13-24-15(23-8(2)10-5-4-9(18)6-11(10)19)27-16(25-13)26-14-7-12(28-29-14)17(20,21)22/h6-10H,4-5H2,1-3H3,(H3,22,23,24,25,26,27,28);7-11H,4-6H2,1-3H3,(H3,22,23,24,25,26,27,28);6-10H,4-5H2,1-3H3,(H3,21,22,23,24,25,26,27);4-8H,3H2,1-2H3,(H3,23,24,25,26,27,28,29).
What are the key properties of 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-propyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate?
2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-propyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate has a molecular weight of 1591.62 g/mol, XLogP of 16.12, 29 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-propyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 158591101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).