N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;4-(2-chloro-6-fluorophenoxy)-5-ethyl-6-propan-2-yloxypyrimidine;5-chloro-2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile

C145H138Cl4F14N34O14 — CID 162127733

IUPACN-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;4-(2-chloro-6-fluorophenoxy)-5-ethyl-6-propan-2-yloxypyrimidine;5-chloro-2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile
SMILESCC(C)Oc1ncnc(Nc2ccc(F)cc2C#N)c1F.CC(C)Oc1ncnc(Nc2ccc(F)cc2F)c1F.CC(C)Oc1ncnc(Nc2ccccc2F)c1F.CC(C)Oc1ncnc(Oc2ccc(Cl)cc2C#N)c1F.CC(C)Oc1ncnc(Oc2ccccc2C#N)c1F.CCc1c(Oc2c(F)cccc2Cl)ncnc1OC(C)C.Cc1c(F)ccc(Nc2ncnc(OC(C)C)c2F)c1C#N.[C-]#[N+]c1cc(F)c(Nc2ncnc(OC(C)C)c2CC)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2C)c(F)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2OCC)c(Cl)c1
InChIInChI=1S/C16H16ClFN4O.C16H17ClN4O2.C15H16ClFN2O2.C15H14F2N4O.C15H15FN4O.C14H11ClFN3O2.C14H12F2N4O.C14H12FN3O2.C13H12F3N3O.C13H13F2N3O/c1-5-11-15(20-8-21-16(11)23-9(2)3)22-14-12(17)6-10(19-4)7-13(14)18;1-5-22-14-15(19-9-20-16(14)23-10(2)3)21-13-7-6-11(18-4)8-12(13)17;1-4-10-14(20-9(2)3)18-8-19-15(10)21-13-11(16)6-5-7-12(13)17;1-8(2)22-15-13(17)14(19-7-20-15)21-12-5-4-11(16)9(3)10(12)6-18;1-9(2)21-15-10(3)14(18-8-19-15)20-13-6-5-11(17-4)7-12(13)16;1-8(2)20-13-12(16)14(19-7-18-13)21-11-4-3-10(15)5-9(11)6-17;1-8(2)21-14-12(16)13(18-7-19-14)20-11-4-3-10(15)5-9(11)6-17;1-9(2)19-13-12(15)14(18-8-17-13)20-11-6-4-3-5-10(11)7-16;1-7(2)20-13-11(16)12(17-6-18-13)19-10-4-3-8(14)5-9(10)15;1-8(2)19-13-11(15)12(16-7-17-13)18-10-6-4-3-5-9(10)14/h6-9H,5H2,1-3H3,(H,20,21,22);6-10H,5H2,1-3H3,(H,19,20,21);5-9H,4H2,1-3H3;4-5,7-8H,1-3H3,(H,19,20,21);5-9H,1-3H3,(H,18,19,20);3-5,7-8H,1-2H3;3-5,7-8H,1-2H3,(H,18,19,20);3-6,8-9H,1-2H3;3-7H,1-2H3,(H,17,18,19);3-8H,1-2H3,(H,16,17,18)
InChIKeyZIGMEFMCERSNSN-UHFFFAOYSA-N
MW2988.71 g/mol
LogP38.06
Rot. Bonds44

About N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;4-(2-chloro-6-fluorophenoxy)-5-ethyl-6-propan-2-yloxypyrimidine;5-chloro-2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile

N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;4-(2-chloro-6-fluorophenoxy)-5-ethyl-6-propan-2-yloxypyrimidine;5-chloro-2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile (PubChem CID 162127733) has the molecular formula C145H138Cl4F14N34O14 and a molecular weight of 2988.71 g/mol. Its IUPAC name is N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;4-(2-chloro-6-fluorophenoxy)-5-ethyl-6-propan-2-yloxypyrimidine;5-chloro-2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound NameN-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;4-(2-chloro-6-fluorophenoxy)-5-ethyl-6-propan-2-yloxypyrimidine;5-chloro-2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile
PubChem CID162127733
Molecular FormulaC145H138Cl4F14N34O14
Molecular Weight2988.71 g/mol
Exact Mass2984.97
IUPAC NameN-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;4-(2-chloro-6-fluorophenoxy)-5-ethyl-6-propan-2-yloxypyrimidine;5-chloro-2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile
SMILESCC(C)Oc1ncnc(Nc2ccc(F)cc2C#N)c1F.CC(C)Oc1ncnc(Nc2ccc(F)cc2F)c1F.CC(C)Oc1ncnc(Nc2ccccc2F)c1F.CC(C)Oc1ncnc(Oc2ccc(Cl)cc2C#N)c1F.CC(C)Oc1ncnc(Oc2ccccc2C#N)c1F.CCc1c(Oc2c(F)cccc2Cl)ncnc1OC(C)C.Cc1c(F)ccc(Nc2ncnc(OC(C)C)c2F)c1C#N.[C-]#[N+]c1cc(F)c(Nc2ncnc(OC(C)C)c2CC)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2C)c(F)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2OCC)c(Cl)c1
InChIInChI=1S/C16H16ClFN4O.C16H17ClN4O2.C15H16ClFN2O2.C15H14F2N4O.C15H15FN4O.C14H11ClFN3O2.C14H12F2N4O.C14H12FN3O2.C13H12F3N3O.C13H13F2N3O/c1-5-11-15(20-8-21-16(11)23-9(2)3)22-14-12(17)6-10(19-4)7-13(14)18;1-5-22-14-15(19-9-20-16(14)23-10(2)3)21-13-7-6-11(18-4)8-12(13)17;1-4-10-14(20-9(2)3)18-8-19-15(10)21-13-11(16)6-5-7-12(13)17;1-8(2)22-15-13(17)14(19-7-20-15)21-12-5-4-11(16)9(3)10(12)6-18;1-9(2)21-15-10(3)14(18-8-19-15)20-13-6-5-11(17-4)7-12(13)16;1-8(2)20-13-12(16)14(19-7-18-13)21-11-4-3-10(15)5-9(11)6-17;1-8(2)21-14-12(16)13(18-7-19-14)20-11-4-3-10(15)5-9(11)6-17;1-9(2)19-13-12(15)14(18-8-17-13)20-11-6-4-3-5-10(11)7-16;1-7(2)20-13-11(16)12(17-6-18-13)19-10-4-3-8(14)5-9(10)15;1-8(2)19-13-11(15)12(16-7-17-13)18-10-6-4-3-5-9(10)14/h6-9H,5H2,1-3H3,(H,20,21,22);6-10H,5H2,1-3H3,(H,19,20,21);5-9H,4H2,1-3H3;4-5,7-8H,1-3H3,(H,19,20,21);5-9H,1-3H3,(H,18,19,20);3-5,7-8H,1-2H3;3-5,7-8H,1-2H3,(H,18,19,20);3-6,8-9H,1-2H3;3-7H,1-2H3,(H,17,18,19);3-8H,1-2H3,(H,16,17,18)
InChIKeyZIGMEFMCERSNSN-UHFFFAOYSA-N
XLogP38.06
TPSA579.47 Ų
H-Bond Donors7
H-Bond Acceptors45
Rotatable Bonds44
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002988.71
LogP ≤ 538.06
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;4-(2-chloro-6-fluorophenoxy)-5-ethyl-6-propan-2-yloxypyrimidine;5-chloro-2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;4-(2-chloro-6-fluorophenoxy)-5-ethyl-6-propan-2-yloxypyrimidine;5-chloro-2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile?
The IUPAC name of N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;4-(2-chloro-6-fluorophenoxy)-5-ethyl-6-propan-2-yloxypyrimidine;5-chloro-2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile (CID 162127733) is N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;4-(2-chloro-6-fluorophenoxy)-5-ethyl-6-propan-2-yloxypyrimidine;5-chloro-2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile.
What is the SMILES notation for N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;4-(2-chloro-6-fluorophenoxy)-5-ethyl-6-propan-2-yloxypyrimidine;5-chloro-2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile?
The canonical SMILES for N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;4-(2-chloro-6-fluorophenoxy)-5-ethyl-6-propan-2-yloxypyrimidine;5-chloro-2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile is CC(C)Oc1ncnc(Nc2ccc(F)cc2C#N)c1F.CC(C)Oc1ncnc(Nc2ccc(F)cc2F)c1F.CC(C)Oc1ncnc(Nc2ccccc2F)c1F.CC(C)Oc1ncnc(Oc2ccc(Cl)cc2C#N)c1F.CC(C)Oc1ncnc(Oc2ccccc2C#N)c1F.CCc1c(Oc2c(F)cccc2Cl)ncnc1OC(C)C.Cc1c(F)ccc(Nc2ncnc(OC(C)C)c2F)c1C#N.[C-]#[N+]c1cc(F)c(Nc2ncnc(OC(C)C)c2CC)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2C)c(F)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2OCC)c(Cl)c1.
What is the InChIKey of N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;4-(2-chloro-6-fluorophenoxy)-5-ethyl-6-propan-2-yloxypyrimidine;5-chloro-2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile?
The InChIKey is ZIGMEFMCERSNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O.C16H17ClN4O2.C15H16ClFN2O2.C15H14F2N4O.C15H15FN4O.C14H11ClFN3O2.C14H12F2N4O.C14H12FN3O2.C13H12F3N3O.C13H13F2N3O/c1-5-11-15(20-8-21-16(11)23-9(2)3)22-14-12(17)6-10(19-4)7-13(14)18;1-5-22-14-15(19-9-20-16(14)23-10(2)3)21-13-7-6-11(18-4)8-12(13)17;1-4-10-14(20-9(2)3)18-8-19-15(10)21-13-11(16)6-5-7-12(13)17;1-8(2)22-15-13(17)14(19-7-20-15)21-12-5-4-11(16)9(3)10(12)6-18;1-9(2)21-15-10(3)14(18-8-19-15)20-13-6-5-11(17-4)7-12(13)16;1-8(2)20-13-12(16)14(19-7-18-13)21-11-4-3-10(15)5-9(11)6-17;1-8(2)21-14-12(16)13(18-7-19-14)20-11-4-3-10(15)5-9(11)6-17;1-9(2)19-13-12(15)14(18-8-17-13)20-11-6-4-3-5-10(11)7-16;1-7(2)20-13-11(16)12(17-6-18-13)19-10-4-3-8(14)5-9(10)15;1-8(2)19-13-11(15)12(16-7-17-13)18-10-6-4-3-5-9(10)14/h6-9H,5H2,1-3H3,(H,20,21,22);6-10H,5H2,1-3H3,(H,19,20,21);5-9H,4H2,1-3H3;4-5,7-8H,1-3H3,(H,19,20,21);5-9H,1-3H3,(H,18,19,20);3-5,7-8H,1-2H3;3-5,7-8H,1-2H3,(H,18,19,20);3-6,8-9H,1-2H3;3-7H,1-2H3,(H,17,18,19);3-8H,1-2H3,(H,16,17,18).
What are the key properties of N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;4-(2-chloro-6-fluorophenoxy)-5-ethyl-6-propan-2-yloxypyrimidine;5-chloro-2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile?
N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;4-(2-chloro-6-fluorophenoxy)-5-ethyl-6-propan-2-yloxypyrimidine;5-chloro-2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile has a molecular weight of 2988.71 g/mol, XLogP of 38.06, 44 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;4-(2-chloro-6-fluorophenoxy)-5-ethyl-6-propan-2-yloxypyrimidine;5-chloro-2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 162127733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).