4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine

C76H75Cl2F9N22 — CID 161267390

About 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine

4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 161267390) has the molecular formula C76H75Cl2F9N22 and a molecular weight of 1538.48 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine
• PubChem CID: 161267390
• Molecular Formula: C76H75Cl2F9N22
• Molecular Weight: 1538.48 g/mol
• Exact Mass: 1536.58
• IUPAC Name: 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine
• SMILES: CCc1cc(-c2ccc(Cl)c(F)c2)nc(N)n1.CCc1cc(-c2cccc(C)c2C)nc(N)n1.CCc1cc(-c2cccc(Cl)c2F)nc(N)n1.CCc1cc(-c2ccccc2C(F)(F)F)nc(N)n1.CNc1cc(-c2cccc(C(F)(F)F)c2F)nc(N)n1.CNc1cc(-c2cccc3c2cnn3C)nc(N)n1
• InChI: InChI=1S/C14H17N3.C13H12F3N3.C13H14N6.2C12H11ClFN3.C12H10F4N4/c1-4-11-8-13(17-14(15)16-11)12-7-5-6-9(2)10(12)3;1-2-8-7-11(19-12(17)18-8)9-5-3-4-6-10(9)13(14,15)16;1-15-12-6-10(17-13(14)18-12)8-4-3-5-11-9(8)7-16-19(11)2;1-2-8-6-11(17-12(15)16-8)7-3-4-9(13)10(14)5-7;1-2-7-6-10(17-12(15)16-7)8-4-3-5-9(13)11(8)14;1-18-9-5-8(19-11(17)20-9)6-3-2-4-7(10(6)13)12(14,15)16/h5-8H,4H2,1-3H3,(H2,15,16,17);3-7H,2H2,1H3,(H2,17,18,19);3-7H,1-2H3,(H3,14,15,17,18);2*3-6H,2H2,1H3,(H2,15,16,17);2-5H,1H3,(H3,17,18,19,20)
• InChIKey: VDJFUJILVRLPSN-UHFFFAOYSA-N
• XLogP: 16.95
• TPSA: 352.68 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1538.48
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine?

The IUPAC name of 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine (CID 161267390) is 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine.

What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine?

The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine is CCc1cc(-c2ccc(Cl)c(F)c2)nc(N)n1.CCc1cc(-c2cccc(C)c2C)nc(N)n1.CCc1cc(-c2cccc(Cl)c2F)nc(N)n1.CCc1cc(-c2ccccc2C(F)(F)F)nc(N)n1.CNc1cc(-c2cccc(C(F)(F)F)c2F)nc(N)n1.CNc1cc(-c2cccc3c2cnn3C)nc(N)n1.

What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine?

The InChIKey is VDJFUJILVRLPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.C13H12F3N3.C13H14N6.2C12H11ClFN3.C12H10F4N4/c1-4-11-8-13(17-14(15)16-11)12-7-5-6-9(2)10(12)3;1-2-8-7-11(19-12(17)18-8)9-5-3-4-6-10(9)13(14,15)16;1-15-12-6-10(17-13(14)18-12)8-4-3-5-11-9(8)7-16-19(11)2;1-2-8-6-11(17-12(15)16-8)7-3-4-9(13)10(14)5-7;1-2-7-6-10(17-12(15)16-7)8-4-3-5-9(13)11(8)14;1-18-9-5-8(19-11(17)20-9)6-3-2-4-7(10(6)13)12(14,15)16/h5-8H,4H2,1-3H3,(H2,15,16,17);3-7H,2H2,1H3,(H2,17,18,19);3-7H,1-2H3,(H3,14,15,17,18);2*3-6H,2H2,1H3,(H2,15,16,17);2-5H,1H3,(H3,17,18,19,20).

What are the key properties of 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine?

4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 1538.48 g/mol, XLogP of 16.95, 12 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 161267390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).