4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine

C93H72F20N30O2 — CID 161252935

IUPAC4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine
SMILESCc1nc2ccc(F)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cn2c1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cn2c1-c1nc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nn(C)c(C)c1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)n1
InChIInChI=1S/C19H12F6N6O.2C19H14F4N6.C19H15F3N6O.C17H17F3N6/c20-18(21,22)16-15(31-8-2-1-3-14(31)30-16)17-28-12(26)9-13(29-17)27-10-4-6-11(7-5-10)32-19(23,24)25;1-10-17(29-9-12(20)4-7-16(29)25-10)18-27-14(24)8-15(28-18)26-13-5-2-11(3-6-13)19(21,22)23;1-10-25-14-7-4-12(20)8-15(14)29(10)18-27-16(24)9-17(28-18)26-13-5-2-11(3-6-13)19(21,22)23;1-10-17(28-9-11(20)2-7-16(28)24-10)18-26-14(23)8-15(27-18)25-12-3-5-13(6-4-12)29-19(21)22;1-9-15(10(2)26(3)25-9)16-23-13(21)8-14(24-16)22-12-6-4-11(5-7-12)17(18,19)20/h1-9H,(H3,26,27,28,29);2*2-9H,1H3,(H3,24,26,27,28);2-9,19H,1H3,(H3,23,25,26,27);4-8H,1-3H3,(H3,21,22,23,24)
InChIKeyVBMZGCNKJVMINN-UHFFFAOYSA-N
MW2021.77 g/mol
LogP22.23
Rot. Bonds18

About 4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine

4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine (PubChem CID 161252935) has the molecular formula C93H72F20N30O2 and a molecular weight of 2021.77 g/mol. Its IUPAC name is 4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine
PubChem CID161252935
Molecular FormulaC93H72F20N30O2
Molecular Weight2021.77 g/mol
Exact Mass2020.61
IUPAC Name4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine
SMILESCc1nc2ccc(F)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cn2c1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cn2c1-c1nc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nn(C)c(C)c1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)n1
InChIInChI=1S/C19H12F6N6O.2C19H14F4N6.C19H15F3N6O.C17H17F3N6/c20-18(21,22)16-15(31-8-2-1-3-14(31)30-16)17-28-12(26)9-13(29-17)27-10-4-6-11(7-5-10)32-19(23,24)25;1-10-17(29-9-12(20)4-7-16(29)25-10)18-27-14(24)8-15(28-18)26-13-5-2-11(3-6-13)19(21,22)23;1-10-25-14-7-4-12(20)8-15(14)29(10)18-27-16(24)9-17(28-18)26-13-5-2-11(3-6-13)19(21,22)23;1-10-17(28-9-11(20)2-7-16(28)24-10)18-26-14(23)8-15(27-18)25-12-3-5-13(6-4-12)29-19(21)22;1-9-15(10(2)26(3)25-9)16-23-13(21)8-14(24-16)22-12-6-4-11(5-7-12)17(18,19)20/h1-9H,(H3,26,27,28,29);2*2-9H,1H3,(H3,24,26,27,28);2-9,19H,1H3,(H3,23,25,26,27);4-8H,1-3H3,(H3,21,22,23,24)
InChIKeyVBMZGCNKJVMINN-UHFFFAOYSA-N
XLogP22.23
TPSA425.15 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds18
Heavy Atoms145
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002021.77
LogP ≤ 522.23
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze 4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine (CID 161252935) is 4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine is Cc1nc2ccc(F)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cn2c1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cn2c1-c1nc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nn(C)c(C)c1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)n1.
What is the InChIKey of 4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine?
The InChIKey is VBMZGCNKJVMINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N6O.2C19H14F4N6.C19H15F3N6O.C17H17F3N6/c20-18(21,22)16-15(31-8-2-1-3-14(31)30-16)17-28-12(26)9-13(29-17)27-10-4-6-11(7-5-10)32-19(23,24)25;1-10-17(29-9-12(20)4-7-16(29)25-10)18-27-14(24)8-15(28-18)26-13-5-2-11(3-6-13)19(21,22)23;1-10-25-14-7-4-12(20)8-15(14)29(10)18-27-16(24)9-17(28-18)26-13-5-2-11(3-6-13)19(21,22)23;1-10-17(28-9-11(20)2-7-16(28)24-10)18-26-14(23)8-15(27-18)25-12-3-5-13(6-4-12)29-19(21)22;1-9-15(10(2)26(3)25-9)16-23-13(21)8-14(24-16)22-12-6-4-11(5-7-12)17(18,19)20/h1-9H,(H3,26,27,28,29);2*2-9H,1H3,(H3,24,26,27,28);2-9,19H,1H3,(H3,23,25,26,27);4-8H,1-3H3,(H3,21,22,23,24).
What are the key properties of 4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine?
4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine has a molecular weight of 2021.77 g/mol, XLogP of 22.23, 18 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 161252935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).