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

C73H77F11N24O2 — CID 157200684

IUPAC4-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
SMILESCCCc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(C)n2)n[nH]1.CCOC(=O)c1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(C)n2)n[nH]1.CCc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(C)n2)n[nH]1.Cc1nc(Nc2cc(C(F)(F)F)[nH]n2)cc(NC(C)c2ccc(F)cc2F)n1
InChIInChI=1S/C19H20F2N6O2.C19H22F2N6.C18H20F2N6.C17H15F5N6/c1-4-29-19(28)15-8-18(27-26-15)25-17-9-16(23-11(3)24-17)22-10(2)13-6-5-12(20)7-14(13)21;1-4-5-14-9-19(27-26-14)25-18-10-17(23-12(3)24-18)22-11(2)15-7-6-13(20)8-16(15)21;1-4-13-8-18(26-25-13)24-17-9-16(22-11(3)23-17)21-10(2)14-6-5-12(19)7-15(14)20;1-8(11-4-3-10(18)5-12(11)19)23-14-7-15(25-9(2)24-14)26-16-6-13(27-28-16)17(20,21)22/h5-10H,4H2,1-3H3,(H3,22,23,24,25,26,27);6-11H,4-5H2,1-3H3,(H3,22,23,24,25,26,27);5-10H,4H2,1-3H3,(H3,21,22,23,24,25,26);3-8H,1-2H3,(H3,23,24,25,26,27,28)
InChIKeyAQTKHGBXFPTIKG-UHFFFAOYSA-N
MW1531.56 g/mol
LogP17.52
Rot. Bonds25

About 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

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 (PubChem CID 157200684) has the molecular formula C73H77F11N24O2 and a molecular weight of 1531.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID157200684
Molecular FormulaC73H77F11N24O2
Molecular Weight1531.56 g/mol
Exact Mass1530.65
IUPAC Name4-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
SMILESCCCc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(C)n2)n[nH]1.CCOC(=O)c1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(C)n2)n[nH]1.CCc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(C)n2)n[nH]1.Cc1nc(Nc2cc(C(F)(F)F)[nH]n2)cc(NC(C)c2ccc(F)cc2F)n1
InChIInChI=1S/C19H20F2N6O2.C19H22F2N6.C18H20F2N6.C17H15F5N6/c1-4-29-19(28)15-8-18(27-26-15)25-17-9-16(23-11(3)24-17)22-10(2)13-6-5-12(20)7-14(13)21;1-4-5-14-9-19(27-26-14)25-18-10-17(23-12(3)24-18)22-11(2)15-7-6-13(20)8-16(15)21;1-4-13-8-18(26-25-13)24-17-9-16(22-11(3)23-17)21-10(2)14-6-5-12(19)7-15(14)20;1-8(11-4-3-10(18)5-12(11)19)23-14-7-15(25-9(2)24-14)26-16-6-13(27-28-16)17(20,21)22/h5-10H,4H2,1-3H3,(H3,22,23,24,25,26,27);6-11H,4-5H2,1-3H3,(H3,22,23,24,25,26,27);5-10H,4H2,1-3H3,(H3,21,22,23,24,25,26);3-8H,1-2H3,(H3,23,24,25,26,27,28)
InChIKeyAQTKHGBXFPTIKG-UHFFFAOYSA-N
XLogP17.52
TPSA340.38 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001531.56
LogP ≤ 517.52
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Analyze 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 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-[[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)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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(C)n2)n[nH]1.CCOC(=O)c1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(C)n2)n[nH]1.CCc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(C)n2)n[nH]1.Cc1nc(Nc2cc(C(F)(F)F)[nH]n2)cc(NC(C)c2ccc(F)cc2F)n1.
What is the InChIKey of 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?
The InChIKey is AQTKHGBXFPTIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O2.C19H22F2N6.C18H20F2N6.C17H15F5N6/c1-4-29-19(28)15-8-18(27-26-15)25-17-9-16(23-11(3)24-17)22-10(2)13-6-5-12(20)7-14(13)21;1-4-5-14-9-19(27-26-14)25-18-10-17(23-12(3)24-18)22-11(2)15-7-6-13(20)8-16(15)21;1-4-13-8-18(26-25-13)24-17-9-16(22-11(3)23-17)21-10(2)14-6-5-12(19)7-15(14)20;1-8(11-4-3-10(18)5-12(11)19)23-14-7-15(25-9(2)24-14)26-16-6-13(27-28-16)17(20,21)22/h5-10H,4H2,1-3H3,(H3,22,23,24,25,26,27);6-11H,4-5H2,1-3H3,(H3,22,23,24,25,26,27);5-10H,4H2,1-3H3,(H3,21,22,23,24,25,26);3-8H,1-2H3,(H3,23,24,25,26,27,28).
What are the key properties of 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-ethyl-1H-pyrazol-3-yl)-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?
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 has a molecular weight of 1531.56 g/mol, XLogP of 17.52, 25 rotatable bonds, 12 hydrogen bond donors, and 22 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)-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 is sourced from PubChem (CID 157200684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).