7-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-one;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-2-methoxyacetamide;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-4-methylsulfonylbenzamide;4-(3-amino-1-iminobut-2-en-2-yl)-6-ethylpyrimidin-2-amine;4-N-[3-(5-bromo-2-pyridinyl)propyl]-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-ethyl-6-(1H-pyrrol-3-yl)pyrimidin-2-amine

C96H106BrCl8F3N26O6S — CID 159635992

About 7-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-one;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-2-methoxyacetamide;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-4-methylsulfonylbenzamide;4-(3-amino-1-iminobut-2-en-2-yl)-6-ethylpyrimidin-2-amine;4-N-[3-(5-bromo-2-pyridinyl)propyl]-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-ethyl-6-(1H-pyrrol-3-yl)pyrimidin-2-amine

7-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-one;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-2-methoxyacetamide;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-4-methylsulfonylbenzamide;4-(3-amino-1-iminobut-2-en-2-yl)-6-ethylpyrimidin-2-amine;4-N-[3-(5-bromo-2-pyridinyl)propyl]-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-ethyl-6-(1H-pyrrol-3-yl)pyrimidin-2-amine (PubChem CID 159635992) has the molecular formula C96H106BrCl8F3N26O6S and a molecular weight of 2172.67 g/mol. Its IUPAC name is 7-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-one;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-2-methoxyacetamide;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-4-methylsulfonylbenzamide;4-(3-amino-1-iminobut-2-en-2-yl)-6-ethylpyrimidin-2-amine;4-N-[3-(5-bromo-2-pyridinyl)propyl]-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-ethyl-6-(1H-pyrrol-3-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 7-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-one;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-2-methoxyacetamide;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-4-methylsulfonylbenzamide;4-(3-amino-1-iminobut-2-en-2-yl)-6-ethylpyrimidin-2-amine;4-N-[3-(5-bromo-2-pyridinyl)propyl]-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-ethyl-6-(1H-pyrrol-3-yl)pyrimidin-2-amine
• PubChem CID: 159635992
• Molecular Formula: C96H106BrCl8F3N26O6S
• Molecular Weight: 2172.67 g/mol
• Exact Mass: 2166.52
• IUPAC Name: 7-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-one;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-2-methoxyacetamide;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-4-methylsulfonylbenzamide;4-(3-amino-1-iminobut-2-en-2-yl)-6-ethylpyrimidin-2-amine;4-N-[3-(5-bromo-2-pyridinyl)propyl]-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-ethyl-6-(1H-pyrrol-3-yl)pyrimidin-2-amine
• SMILES: CCc1cc(-c2cc[nH]c2)nc(N)n1.COCC(=O)NCCCCCc1cc(-c2cccc(Cl)c2Cl)nc(N)n1.CS(=O)(=O)c1ccc(C(=O)NCCCCCc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)cc1.Nc1nc(NCCCCCC(=O)C(F)(F)F)cc(-c2cccc(Cl)c2Cl)n1.Nc1nc(NCCCc2ccc(Br)cn2)cc(-c2cccc(Cl)c2Cl)n1.[H]/N=C/C(=C(C)N)c1cc(CC)nc(N)n1
• InChI: InChI=1S/C23H24Cl2N4O3S.C18H16BrCl2N5.C18H22Cl2N4O2.C17H17Cl2F3N4O.C10H15N5.C10H12N4/c1-33(31,32)17-11-9-15(10-12-17)22(30)27-13-4-2-3-6-16-14-20(29-23(26)28-16)18-7-5-8-19(24)21(18)25;19-11-6-7-12(24-10-11)3-2-8-23-16-9-15(25-18(22)26-16)13-4-1-5-14(20)17(13)21;1-26-11-16(25)22-9-4-2-3-6-12-10-15(24-18(21)23-12)13-7-5-8-14(19)17(13)20;18-11-6-4-5-10(15(11)19)12-9-14(26-16(23)25-12)24-8-3-1-2-7-13(27)17(20,21)22;1-3-7-4-9(15-10(13)14-7)8(5-11)6(2)12;1-2-8-5-9(14-10(11)13-8)7-3-4-12-6-7/h5,7-12,14H,2-4,6,13H2,1H3,(H,27,30)(H2,26,28,29);1,4-7,9-10H,2-3,8H2,(H3,22,23,25,26);5,7-8,10H,2-4,6,9,11H2,1H3,(H,22,25)(H2,21,23,24);4-6,9H,1-3,7-8H2,(H3,23,24,25,26);4-5,11H,3,12H2,1-2H3,(H2,13,14,15);3-6,12H,2H2,1H3,(H2,11,13,14)/b;;;;8-6?,11-5+
• InChIKey: UZCIHGPKBZFWTC-ZNMDPZGVSA-N
• XLogP: 21.03
• TPSA: 532.05 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 29
• Rotatable Bonds: 37
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2172.67
LogP ≤ 5	21.03
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-one;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-2-methoxyacetamide;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-4-methylsulfonylbenzamide;4-(3-amino-1-iminobut-2-en-2-yl)-6-ethylpyrimidin-2-amine;4-N-[3-(5-bromo-2-pyridinyl)propyl]-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-ethyl-6-(1H-pyrrol-3-yl)pyrimidin-2-amine?

The IUPAC name of 7-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-one;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-2-methoxyacetamide;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-4-methylsulfonylbenzamide;4-(3-amino-1-iminobut-2-en-2-yl)-6-ethylpyrimidin-2-amine;4-N-[3-(5-bromo-2-pyridinyl)propyl]-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-ethyl-6-(1H-pyrrol-3-yl)pyrimidin-2-amine (CID 159635992) is 7-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-one;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-2-methoxyacetamide;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-4-methylsulfonylbenzamide;4-(3-amino-1-iminobut-2-en-2-yl)-6-ethylpyrimidin-2-amine;4-N-[3-(5-bromo-2-pyridinyl)propyl]-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-ethyl-6-(1H-pyrrol-3-yl)pyrimidin-2-amine.

What is the SMILES notation for 7-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-one;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-2-methoxyacetamide;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-4-methylsulfonylbenzamide;4-(3-amino-1-iminobut-2-en-2-yl)-6-ethylpyrimidin-2-amine;4-N-[3-(5-bromo-2-pyridinyl)propyl]-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-ethyl-6-(1H-pyrrol-3-yl)pyrimidin-2-amine?

The canonical SMILES for 7-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-one;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-2-methoxyacetamide;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-4-methylsulfonylbenzamide;4-(3-amino-1-iminobut-2-en-2-yl)-6-ethylpyrimidin-2-amine;4-N-[3-(5-bromo-2-pyridinyl)propyl]-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-ethyl-6-(1H-pyrrol-3-yl)pyrimidin-2-amine is CCc1cc(-c2cc[nH]c2)nc(N)n1.COCC(=O)NCCCCCc1cc(-c2cccc(Cl)c2Cl)nc(N)n1.CS(=O)(=O)c1ccc(C(=O)NCCCCCc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)cc1.Nc1nc(NCCCCCC(=O)C(F)(F)F)cc(-c2cccc(Cl)c2Cl)n1.Nc1nc(NCCCc2ccc(Br)cn2)cc(-c2cccc(Cl)c2Cl)n1.[H]/N=C/C(=C(C)N)c1cc(CC)nc(N)n1.

What is the InChIKey of 7-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-one;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-2-methoxyacetamide;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-4-methylsulfonylbenzamide;4-(3-amino-1-iminobut-2-en-2-yl)-6-ethylpyrimidin-2-amine;4-N-[3-(5-bromo-2-pyridinyl)propyl]-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-ethyl-6-(1H-pyrrol-3-yl)pyrimidin-2-amine?

The InChIKey is UZCIHGPKBZFWTC-ZNMDPZGVSA-N. The full InChI is InChI=1S/C23H24Cl2N4O3S.C18H16BrCl2N5.C18H22Cl2N4O2.C17H17Cl2F3N4O.C10H15N5.C10H12N4/c1-33(31,32)17-11-9-15(10-12-17)22(30)27-13-4-2-3-6-16-14-20(29-23(26)28-16)18-7-5-8-19(24)21(18)25;19-11-6-7-12(24-10-11)3-2-8-23-16-9-15(25-18(22)26-16)13-4-1-5-14(20)17(13)21;1-26-11-16(25)22-9-4-2-3-6-12-10-15(24-18(21)23-12)13-7-5-8-14(19)17(13)20;18-11-6-4-5-10(15(11)19)12-9-14(26-16(23)25-12)24-8-3-1-2-7-13(27)17(20,21)22;1-3-7-4-9(15-10(13)14-7)8(5-11)6(2)12;1-2-8-5-9(14-10(11)13-8)7-3-4-12-6-7/h5,7-12,14H,2-4,6,13H2,1H3,(H,27,30)(H2,26,28,29);1,4-7,9-10H,2-3,8H2,(H3,22,23,25,26);5,7-8,10H,2-4,6,9,11H2,1H3,(H,22,25)(H2,21,23,24);4-6,9H,1-3,7-8H2,(H3,23,24,25,26);4-5,11H,3,12H2,1-2H3,(H2,13,14,15);3-6,12H,2H2,1H3,(H2,11,13,14)/b;;;;8-6?,11-5+;.

What are the key properties of 7-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-one;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-2-methoxyacetamide;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-4-methylsulfonylbenzamide;4-(3-amino-1-iminobut-2-en-2-yl)-6-ethylpyrimidin-2-amine;4-N-[3-(5-bromo-2-pyridinyl)propyl]-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-ethyl-6-(1H-pyrrol-3-yl)pyrimidin-2-amine?

7-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-one;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-2-methoxyacetamide;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-4-methylsulfonylbenzamide;4-(3-amino-1-iminobut-2-en-2-yl)-6-ethylpyrimidin-2-amine;4-N-[3-(5-bromo-2-pyridinyl)propyl]-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-ethyl-6-(1H-pyrrol-3-yl)pyrimidin-2-amine has a molecular weight of 2172.67 g/mol, XLogP of 21.03, 37 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-one;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-2-methoxyacetamide;N-[5-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]pentyl]-4-methylsulfonylbenzamide;4-(3-amino-1-iminobut-2-en-2-yl)-6-ethylpyrimidin-2-amine;4-N-[3-(5-bromo-2-pyridinyl)propyl]-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-ethyl-6-(1H-pyrrol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 159635992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).