4-[4-chloro-5-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,N,6-trimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine

C83H78Cl11F3N18O6 — CID 158606957

About 4-[4-chloro-5-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,N,6-trimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine

4-[4-chloro-5-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,N,6-trimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine (PubChem CID 158606957) has the molecular formula C83H78Cl11F3N18O6 and a molecular weight of 1870.63 g/mol. Its IUPAC name is 4-[4-chloro-5-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,N,6-trimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[4-chloro-5-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,N,6-trimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine
• PubChem CID: 158606957
• Molecular Formula: C83H78Cl11F3N18O6
• Molecular Weight: 1870.63 g/mol
• Exact Mass: 1864.29
• IUPAC Name: 4-[4-chloro-5-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,N,6-trimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine
• SMILES: CCc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.CNc1nc(C)cc(-c2c(Cl)cc(Cl)c3c2CCO3)n1.COc1cc(-c2cc(C)nc(N)n2)c(C(F)(F)F)cc1Cl.Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N(C)C)n1.Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.Cc1cc(-c2cc(OC(C)C)c(Cl)cc2Cl)nc(N)n1
• InChI: InChI=1S/C15H15Cl2N3O.2C14H13Cl2N3O.C14H15Cl2N3O.C13H11Cl2N3O.C13H11ClF3N3O/c1-8-6-12(19-15(18-8)20(2)3)13-9-4-5-21-14(9)11(17)7-10(13)16;1-7-5-11(19-14(17-2)18-7)12-8-3-4-20-13(8)10(16)6-9(12)15;1-2-7-5-11(19-14(17)18-7)12-8-3-4-20-13(8)10(16)6-9(12)15;1-7(2)20-13-5-9(10(15)6-11(13)16)12-4-8(3)18-14(17)19-12;1-6-4-10(18-13(16)17-6)11-7-2-3-19-12(7)9(15)5-8(11)14;1-6-3-10(20-12(18)19-6)7-4-11(21-2)9(14)5-8(7)13(15,16)17/h6-7H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3,(H,17,18,19);5-6H,2-4H2,1H3,(H2,17,18,19);4-7H,1-3H3,(H2,17,18,19);4-5H,2-3H2,1H3,(H2,16,17,18);3-5H,1-2H3,(H2,18,19,20)
• InChIKey: HWIPZXATCGVULE-UHFFFAOYSA-N
• XLogP: 22.14
• TPSA: 329.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1870.63
LogP ≤ 5	22.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-5-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,N,6-trimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine?

The IUPAC name of 4-[4-chloro-5-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,N,6-trimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine (CID 158606957) is 4-[4-chloro-5-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,N,6-trimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine.

What is the SMILES notation for 4-[4-chloro-5-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,N,6-trimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine?

The canonical SMILES for 4-[4-chloro-5-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,N,6-trimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine is CCc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.CNc1nc(C)cc(-c2c(Cl)cc(Cl)c3c2CCO3)n1.COc1cc(-c2cc(C)nc(N)n2)c(C(F)(F)F)cc1Cl.Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N(C)C)n1.Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.Cc1cc(-c2cc(OC(C)C)c(Cl)cc2Cl)nc(N)n1.

What is the InChIKey of 4-[4-chloro-5-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,N,6-trimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine?

The InChIKey is HWIPZXATCGVULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O.2C14H13Cl2N3O.C14H15Cl2N3O.C13H11Cl2N3O.C13H11ClF3N3O/c1-8-6-12(19-15(18-8)20(2)3)13-9-4-5-21-14(9)11(17)7-10(13)16;1-7-5-11(19-14(17-2)18-7)12-8-3-4-20-13(8)10(16)6-9(12)15;1-2-7-5-11(19-14(17)18-7)12-8-3-4-20-13(8)10(16)6-9(12)15;1-7(2)20-13-5-9(10(15)6-11(13)16)12-4-8(3)18-14(17)19-12;1-6-4-10(18-13(16)17-6)11-7-2-3-19-12(7)9(15)5-8(11)14;1-6-3-10(20-12(18)19-6)7-4-11(21-2)9(14)5-8(7)13(15,16)17/h6-7H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3,(H,17,18,19);5-6H,2-4H2,1H3,(H2,17,18,19);4-7H,1-3H3,(H2,17,18,19);4-5H,2-3H2,1H3,(H2,16,17,18);3-5H,1-2H3,(H2,18,19,20).

What are the key properties of 4-[4-chloro-5-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,N,6-trimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine?

4-[4-chloro-5-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,N,6-trimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine has a molecular weight of 1870.63 g/mol, XLogP of 22.14, 12 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-chloro-5-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,N,6-trimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 158606957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).