4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-hydroxybenzamide;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2,2,2-trifluoroethanone;4-[3-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine;4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine

C79H85F3N20O5S — CID 158894660

About 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-hydroxybenzamide;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2,2,2-trifluoroethanone;4-[3-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine;4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine

4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-hydroxybenzamide;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2,2,2-trifluoroethanone;4-[3-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine;4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine (PubChem CID 158894660) has the molecular formula C79H85F3N20O5S and a molecular weight of 1483.74 g/mol. Its IUPAC name is 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-hydroxybenzamide;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2,2,2-trifluoroethanone;4-[3-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine;4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-hydroxybenzamide;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2,2,2-trifluoroethanone;4-[3-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine;4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine
• PubChem CID: 158894660
• Molecular Formula: C79H85F3N20O5S
• Molecular Weight: 1483.74 g/mol
• Exact Mass: 1482.67
• IUPAC Name: 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-hydroxybenzamide;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2,2,2-trifluoroethanone;4-[3-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine;4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine
• SMILES: CCc1cc(-c2ccc(CN)cc2)nc(N)n1.CCc1cc(-c2cccc(CN)c2)nc(N)n1.CCc1cc(-c2cccc(NC(=O)c3ccccc3O)c2)nc(N)n1.CNc1cc(-c2ccc(C(=O)C(F)(F)F)cc2)nc(N)n1.Cc1cccc(-c2cc(CCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)c1C
• InChI: InChI=1S/C21H24N4O2S.C19H18N4O2.C13H11F3N4O.2C13H16N4/c1-14-5-3-8-19(15(14)2)20-13-17(24-21(22)25-20)7-4-6-16-9-11-18(12-10-16)28(23,26)27;1-2-13-11-16(23-19(20)22-13)12-6-5-7-14(10-12)21-18(25)15-8-3-4-9-17(15)24;1-18-10-6-9(19-12(17)20-10)7-2-4-8(5-3-7)11(21)13(14,15)16;1-2-11-7-12(17-13(15)16-11)10-5-3-9(8-14)4-6-10;1-2-11-7-12(17-13(15)16-11)10-5-3-4-9(6-10)8-14/h3,5,8-13H,4,6-7H2,1-2H3,(H2,22,24,25)(H2,23,26,27);3-11,24H,2H2,1H3,(H,21,25)(H2,20,22,23);2-6H,1H3,(H3,17,18,19,20);2*3-7H,2,8,14H2,1H3,(H2,15,16,17)
• InChIKey: JERKGUBZIJEBQF-UHFFFAOYSA-N
• XLogP: 12.42
• TPSA: 449.63 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1483.74
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-hydroxybenzamide;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2,2,2-trifluoroethanone;4-[3-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine;4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine?

The IUPAC name of 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-hydroxybenzamide;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2,2,2-trifluoroethanone;4-[3-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine;4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine (CID 158894660) is 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-hydroxybenzamide;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2,2,2-trifluoroethanone;4-[3-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine;4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine.

What is the SMILES notation for 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-hydroxybenzamide;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2,2,2-trifluoroethanone;4-[3-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine;4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine?

The canonical SMILES for 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-hydroxybenzamide;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2,2,2-trifluoroethanone;4-[3-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine;4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine is CCc1cc(-c2ccc(CN)cc2)nc(N)n1.CCc1cc(-c2cccc(CN)c2)nc(N)n1.CCc1cc(-c2cccc(NC(=O)c3ccccc3O)c2)nc(N)n1.CNc1cc(-c2ccc(C(=O)C(F)(F)F)cc2)nc(N)n1.Cc1cccc(-c2cc(CCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)c1C.

What is the InChIKey of 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-hydroxybenzamide;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2,2,2-trifluoroethanone;4-[3-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine;4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine?

The InChIKey is JERKGUBZIJEBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S.C19H18N4O2.C13H11F3N4O.2C13H16N4/c1-14-5-3-8-19(15(14)2)20-13-17(24-21(22)25-20)7-4-6-16-9-11-18(12-10-16)28(23,26)27;1-2-13-11-16(23-19(20)22-13)12-6-5-7-14(10-12)21-18(25)15-8-3-4-9-17(15)24;1-18-10-6-9(19-12(17)20-10)7-2-4-8(5-3-7)11(21)13(14,15)16;1-2-11-7-12(17-13(15)16-11)10-5-3-9(8-14)4-6-10;1-2-11-7-12(17-13(15)16-11)10-5-3-4-9(6-10)8-14/h3,5,8-13H,4,6-7H2,1-2H3,(H2,22,24,25)(H2,23,26,27);3-11,24H,2H2,1H3,(H,21,25)(H2,20,22,23);2-6H,1H3,(H3,17,18,19,20);2*3-7H,2,8,14H2,1H3,(H2,15,16,17).

What are the key properties of 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-hydroxybenzamide;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2,2,2-trifluoroethanone;4-[3-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine;4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine?

4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-hydroxybenzamide;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2,2,2-trifluoroethanone;4-[3-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine;4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine has a molecular weight of 1483.74 g/mol, XLogP of 12.42, 19 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-hydroxybenzamide;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2,2,2-trifluoroethanone;4-[3-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine;4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine is sourced from PubChem (CID 158894660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).