4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine

C82H72F10N22O5 — CID 160560287

About 4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine

4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine (PubChem CID 160560287) has the molecular formula C82H72F10N22O5 and a molecular weight of 1635.61 g/mol. Its IUPAC name is 4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine
• PubChem CID: 160560287
• Molecular Formula: C82H72F10N22O5
• Molecular Weight: 1635.61 g/mol
• Exact Mass: 1634.59
• IUPAC Name: 4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine
• SMILES: COCCNc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C)nc3ccccc32)n1.COCCNc1cc(Nc2ccc(OC(F)F)cc2)nc(-n2c(C)nc3ccccc32)n1.COc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nn4ccccc34)n2)cc1.Cc1nc2ccccc2n1-c1nccc(Nc2ccc(OC(F)F)cc2)n1
• InChI: InChI=1S/C22H21F3N6O.C22H22F2N6O2.C19H14F3N5O.C19H15F2N5O/c1-14-27-17-5-3-4-6-18(17)31(14)21-29-19(26-11-12-32-2)13-20(30-21)28-16-9-7-15(8-10-16)22(23,24)25;1-14-26-17-5-3-4-6-18(17)30(14)22-28-19(25-11-12-31-2)13-20(29-22)27-15-7-9-16(10-8-15)32-21(23)24;1-28-13-7-5-12(6-8-13)24-15-9-10-23-18(25-15)16-14-4-2-3-11-27(14)26-17(16)19(20,21)22;1-12-23-15-4-2-3-5-16(15)26(12)19-22-11-10-17(25-19)24-13-6-8-14(9-7-13)27-18(20)21/h3-10,13H,11-12H2,1-2H3,(H2,26,28,29,30);3-10,13,21H,11-12H2,1-2H3,(H2,25,27,28,29);2-11H,1H3,(H,23,24,25);2-11,18H,1H3,(H,22,24,25)
• InChIKey: QZFGVDOEKYUFES-UHFFFAOYSA-N
• XLogP: 18.50
• TPSA: 292.21 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1635.61
LogP ≤ 5	18.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine?

The IUPAC name of 4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine (CID 160560287) is 4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine.

What is the SMILES notation for 4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine?

The canonical SMILES for 4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine is COCCNc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C)nc3ccccc32)n1.COCCNc1cc(Nc2ccc(OC(F)F)cc2)nc(-n2c(C)nc3ccccc32)n1.COc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nn4ccccc34)n2)cc1.Cc1nc2ccccc2n1-c1nccc(Nc2ccc(OC(F)F)cc2)n1.

What is the InChIKey of 4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine?

The InChIKey is QZFGVDOEKYUFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O.C22H22F2N6O2.C19H14F3N5O.C19H15F2N5O/c1-14-27-17-5-3-4-6-18(17)31(14)21-29-19(26-11-12-32-2)13-20(30-21)28-16-9-7-15(8-10-16)22(23,24)25;1-14-26-17-5-3-4-6-18(17)30(14)22-28-19(25-11-12-31-2)13-20(29-22)27-15-7-9-16(10-8-15)32-21(23)24;1-28-13-7-5-12(6-8-13)24-15-9-10-23-18(25-15)16-14-4-2-3-11-27(14)26-17(16)19(20,21)22;1-12-23-15-4-2-3-5-16(15)26(12)19-22-11-10-17(25-19)24-13-6-8-14(9-7-13)27-18(20)21/h3-10,13H,11-12H2,1-2H3,(H2,26,28,29,30);3-10,13,21H,11-12H2,1-2H3,(H2,25,27,28,29);2-11H,1H3,(H,23,24,25);2-11,18H,1H3,(H,22,24,25).

What are the key properties of 4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine?

4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine has a molecular weight of 1635.61 g/mol, XLogP of 18.50, 25 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 160560287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).