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

C69H73F11N28O2 — CID 159395026

IUPAC4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;ethyl 3-[[2-amino-6-[1-(2,4-difluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate
SMILESCC(Nc1cc(Nc2cc(C(F)(F)F)[nH]n2)nc(N)n1)c1ccc(F)cc1F.CCCc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(N)n2)n[nH]1.CCOC(=O)c1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(N)n2)n[nH]1.CCc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(N)n2)n[nH]1
InChIInChI=1S/C18H19F2N7O2.C18H21F2N7.C17H19F2N7.C16H14F5N7/c1-3-29-17(28)13-7-16(27-26-13)23-15-8-14(24-18(21)25-15)22-9(2)11-5-4-10(19)6-12(11)20;1-3-4-12-8-17(27-26-12)23-16-9-15(24-18(21)25-16)22-10(2)13-6-5-11(19)7-14(13)20;1-3-11-7-16(26-25-11)22-15-8-14(23-17(20)24-15)21-9(2)12-5-4-10(18)6-13(12)19;1-7(9-3-2-8(17)4-10(9)18)23-12-6-13(26-15(22)25-12)24-14-5-11(27-28-14)16(19,20)21/h4-9H,3H2,1-2H3,(H5,21,22,23,24,25,26,27);5-10H,3-4H2,1-2H3,(H5,21,22,23,24,25,26,27);4-9H,3H2,1-2H3,(H5,20,21,22,23,24,25,26);2-7H,1H3,(H5,22,23,24,25,26,27,28)
InChIKeyLMPGSNNGGQETBA-UHFFFAOYSA-N
MW1535.51 g/mol
LogP14.62
Rot. Bonds25

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

4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;ethyl 3-[[2-amino-6-[1-(2,4-difluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate (PubChem CID 159395026) has the molecular formula C69H73F11N28O2 and a molecular weight of 1535.51 g/mol. Its IUPAC name is 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;ethyl 3-[[2-amino-6-[1-(2,4-difluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;ethyl 3-[[2-amino-6-[1-(2,4-difluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate
PubChem CID159395026
Molecular FormulaC69H73F11N28O2
Molecular Weight1535.51 g/mol
Exact Mass1534.63
IUPAC Name4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;ethyl 3-[[2-amino-6-[1-(2,4-difluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate
SMILESCC(Nc1cc(Nc2cc(C(F)(F)F)[nH]n2)nc(N)n1)c1ccc(F)cc1F.CCCc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(N)n2)n[nH]1.CCOC(=O)c1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(N)n2)n[nH]1.CCc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(N)n2)n[nH]1
InChIInChI=1S/C18H19F2N7O2.C18H21F2N7.C17H19F2N7.C16H14F5N7/c1-3-29-17(28)13-7-16(27-26-13)23-15-8-14(24-18(21)25-15)22-9(2)11-5-4-10(19)6-12(11)20;1-3-4-12-8-17(27-26-12)23-16-9-15(24-18(21)25-16)22-10(2)13-6-5-11(19)7-14(13)20;1-3-11-7-16(26-25-11)22-15-8-14(23-17(20)24-15)21-9(2)12-5-4-10(18)6-13(12)19;1-7(9-3-2-8(17)4-10(9)18)23-12-6-13(26-15(22)25-12)24-14-5-11(27-28-14)16(19,20)21/h4-9H,3H2,1-2H3,(H5,21,22,23,24,25,26,27);5-10H,3-4H2,1-2H3,(H5,21,22,23,24,25,26,27);4-9H,3H2,1-2H3,(H5,20,21,22,23,24,25,26);2-7H,1H3,(H5,22,23,24,25,26,27,28)
InChIKeyLMPGSNNGGQETBA-UHFFFAOYSA-N
XLogP14.62
TPSA444.46 Ų
H-Bond Donors16
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001535.51
LogP ≤ 514.62
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1026

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate
CID 145744968
ethyl 3-[[6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate
CID 145745173
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-[[6-[1-(2,4-difluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate
CID 145745527
ethyl 3-[[2-amino-6-[1-(2,4-difluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate
CID 145745549
ethyl 3-[[2-amino-6-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate
CID 145745581
ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate
CID 145745613
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

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;ethyl 3-[[2-amino-6-[1-(2,4-difluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate?
The IUPAC name of 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;ethyl 3-[[2-amino-6-[1-(2,4-difluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate (CID 159395026) is 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;ethyl 3-[[2-amino-6-[1-(2,4-difluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;ethyl 3-[[2-amino-6-[1-(2,4-difluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate?
The canonical SMILES for 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;ethyl 3-[[2-amino-6-[1-(2,4-difluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate is CC(Nc1cc(Nc2cc(C(F)(F)F)[nH]n2)nc(N)n1)c1ccc(F)cc1F.CCCc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(N)n2)n[nH]1.CCOC(=O)c1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(N)n2)n[nH]1.CCc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(N)n2)n[nH]1.
What is the InChIKey of 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;ethyl 3-[[2-amino-6-[1-(2,4-difluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate?
The InChIKey is LMPGSNNGGQETBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7O2.C18H21F2N7.C17H19F2N7.C16H14F5N7/c1-3-29-17(28)13-7-16(27-26-13)23-15-8-14(24-18(21)25-15)22-9(2)11-5-4-10(19)6-12(11)20;1-3-4-12-8-17(27-26-12)23-16-9-15(24-18(21)25-16)22-10(2)13-6-5-11(19)7-14(13)20;1-3-11-7-16(26-25-11)22-15-8-14(23-17(20)24-15)21-9(2)12-5-4-10(18)6-13(12)19;1-7(9-3-2-8(17)4-10(9)18)23-12-6-13(26-15(22)25-12)24-14-5-11(27-28-14)16(19,20)21/h4-9H,3H2,1-2H3,(H5,21,22,23,24,25,26,27);5-10H,3-4H2,1-2H3,(H5,21,22,23,24,25,26,27);4-9H,3H2,1-2H3,(H5,20,21,22,23,24,25,26);2-7H,1H3,(H5,22,23,24,25,26,27,28).
What are the key properties of 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;ethyl 3-[[2-amino-6-[1-(2,4-difluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate?
4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;ethyl 3-[[2-amino-6-[1-(2,4-difluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate has a molecular weight of 1535.51 g/mol, XLogP of 14.62, 25 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;ethyl 3-[[2-amino-6-[1-(2,4-difluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 159395026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).