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

C95H67F23N30O3 — CID 159911794

IUPAC4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;2-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-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
SMILESCc1nc2ccc(F)cn2c1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cn2c1-c1nc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)F)nc3ccccn23)n1.Nc1cc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)n1.Nc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)n1
InChIInChI=1S/C19H12F6N6O.C19H13F5N6O.C19H13F5N6.C19H14F4N6.C19H15F3N6O/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;20-18(21)31-11-6-4-10(5-7-11)26-13-9-12(25)27-17(28-13)15-16(19(22,23)24)29-14-3-1-2-8-30(14)15;20-17(21)15-16(30-8-2-1-3-14(30)29-15)18-27-12(25)9-13(28-18)26-11-6-4-10(5-7-11)19(22,23)24;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;1-10-17(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/h1-9H,(H3,26,27,28,29);1-9,18H,(H3,25,26,27,28);1-9,17H,(H3,25,26,27,28);2-9H,1H3,(H3,24,26,27,28);2-9,19H,1H3,(H3,23,25,26,27)
InChIKeyNXGQECDLWBIUFH-UHFFFAOYSA-N
MW2113.74 g/mol
LogP23.59
Rot. Bonds21

About 4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;2-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-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-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;2-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-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 (PubChem CID 159911794) has the molecular formula C95H67F23N30O3 and a molecular weight of 2113.74 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;4-N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;2-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-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.

Molecular Properties

Compound Name4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;2-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-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
PubChem CID159911794
Molecular FormulaC95H67F23N30O3
Molecular Weight2113.74 g/mol
Exact Mass2112.56
IUPAC Name4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;2-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-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
SMILESCc1nc2ccc(F)cn2c1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cn2c1-c1nc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)F)nc3ccccn23)n1.Nc1cc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)n1.Nc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)n1
InChIInChI=1S/C19H12F6N6O.C19H13F5N6O.C19H13F5N6.C19H14F4N6.C19H15F3N6O/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;20-18(21)31-11-6-4-10(5-7-11)26-13-9-12(25)27-17(28-13)15-16(19(22,23)24)29-14-3-1-2-8-30(14)15;20-17(21)15-16(30-8-2-1-3-14(30)29-15)18-27-12(25)9-13(28-18)26-11-6-4-10(5-7-11)19(22,23)24;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;1-10-17(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/h1-9H,(H3,26,27,28,29);1-9,18H,(H3,25,26,27,28);1-9,17H,(H3,25,26,27,28);2-9H,1H3,(H3,24,26,27,28);2-9,19H,1H3,(H3,23,25,26,27)
InChIKeyNXGQECDLWBIUFH-UHFFFAOYSA-N
XLogP23.59
TPSA433.34 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds21
Heavy Atoms151
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002113.74
LogP ≤ 523.59
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Analyze 4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;2-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-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 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;4-N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;2-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-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?
The IUPAC name of 4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;2-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-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 (CID 159911794) is 4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;2-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-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.
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;4-N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;2-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-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?
The canonical SMILES for 4-N-[4-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;2-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-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 is 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.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)F)nc3ccccn23)n1.Nc1cc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)n1.Nc1cc(Nc2ccc(OC(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;4-N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;2-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-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?
The InChIKey is NXGQECDLWBIUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N6O.C19H13F5N6O.C19H13F5N6.C19H14F4N6.C19H15F3N6O/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;20-18(21)31-11-6-4-10(5-7-11)26-13-9-12(25)27-17(28-13)15-16(19(22,23)24)29-14-3-1-2-8-30(14)15;20-17(21)15-16(30-8-2-1-3-14(30)29-15)18-27-12(25)9-13(28-18)26-11-6-4-10(5-7-11)19(22,23)24;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;1-10-17(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/h1-9H,(H3,26,27,28,29);1-9,18H,(H3,25,26,27,28);1-9,17H,(H3,25,26,27,28);2-9H,1H3,(H3,24,26,27,28);2-9,19H,1H3,(H3,23,25,26,27).
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;4-N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;2-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-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-(difluoromethoxy)phenyl]-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;2-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-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 has a molecular weight of 2113.74 g/mol, XLogP of 23.59, 21 rotatable bonds, 10 hydrogen bond donors, and 33 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;4-N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;2-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-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 is sourced from PubChem (CID 159911794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).