4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine

C95H94Cl4F5N23O10S5 — CID 161267387

IUPAC4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCc1c(-c2cc(NCCc3ccc(S(C)(=O)=O)cc3)nc(N)n2)ccc(Cl)c1Cl.Cc1cc(-c2cc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)ccc1F.Cc1cc(Cl)ccc1-c1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.Nc1nc(CCCc2ccc(S(N)(=O)=O)cc2)cc(-c2ccc(F)c(F)c2F)n1.Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)cc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C20H20Cl2N4O2S.C19H20ClN5O2S.C19H17F3N4O2S.C19H20FN5O2S.C18H17ClFN5O2S/c1-12-15(7-8-16(21)19(12)22)17-11-18(26-20(23)25-17)24-10-9-13-3-5-14(6-4-13)29(2,27)28;1-12-10-14(20)4-7-16(12)17-11-18(25-19(21)24-17)23-9-8-13-2-5-15(6-3-13)28(22,26)27;20-15-9-8-14(17(21)18(15)22)16-10-12(25-19(23)26-16)3-1-2-11-4-6-13(7-5-11)29(24,27)28;1-12-10-14(4-7-16(12)20)17-11-18(25-19(21)24-17)23-9-8-13-2-5-15(6-3-13)28(22,26)27;19-15-9-12(20)3-6-14(15)16-10-17(25-18(21)24-16)23-8-7-11-1-4-13(5-2-11)28(22,26)27/h3-8,11H,9-10H2,1-2H3,(H3,23,24,25,26);2-7,10-11H,8-9H2,1H3,(H2,22,26,27)(H3,21,23,24,25);4-10H,1-3H2,(H2,23,25,26)(H2,24,27,28);2-7,10-11H,8-9H2,1H3,(H2,22,26,27)(H3,21,23,24,25);1-6,9-10H,7-8H2,(H2,22,26,27)(H3,21,23,24,25)
InChIKeyVDJFGXHJILJVJQ-UHFFFAOYSA-N
MW2115.08 g/mol
LogP15.65
Rot. Bonds30

About 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine

4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 161267387) has the molecular formula C95H94Cl4F5N23O10S5 and a molecular weight of 2115.08 g/mol. Its IUPAC name is 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID161267387
Molecular FormulaC95H94Cl4F5N23O10S5
Molecular Weight2115.08 g/mol
Exact Mass2111.48
IUPAC Name4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCc1c(-c2cc(NCCc3ccc(S(C)(=O)=O)cc3)nc(N)n2)ccc(Cl)c1Cl.Cc1cc(-c2cc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)ccc1F.Cc1cc(Cl)ccc1-c1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.Nc1nc(CCCc2ccc(S(N)(=O)=O)cc2)cc(-c2ccc(F)c(F)c2F)n1.Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)cc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C20H20Cl2N4O2S.C19H20ClN5O2S.C19H17F3N4O2S.C19H20FN5O2S.C18H17ClFN5O2S/c1-12-15(7-8-16(21)19(12)22)17-11-18(26-20(23)25-17)24-10-9-13-3-5-14(6-4-13)29(2,27)28;1-12-10-14(20)4-7-16(12)17-11-18(25-19(21)24-17)23-9-8-13-2-5-15(6-3-13)28(22,26)27;20-15-9-8-14(17(21)18(15)22)16-10-12(25-19(23)26-16)3-1-2-11-4-6-13(7-5-11)29(24,27)28;1-12-10-14(4-7-16(12)20)17-11-18(25-19(21)24-17)23-9-8-13-2-5-15(6-3-13)28(22,26)27;19-15-9-12(20)3-6-14(15)16-10-17(25-18(21)24-16)23-8-7-11-1-4-13(5-2-11)28(22,26)27/h3-8,11H,9-10H2,1-2H3,(H3,23,24,25,26);2-7,10-11H,8-9H2,1H3,(H2,22,26,27)(H3,21,23,24,25);4-10H,1-3H2,(H2,23,25,26)(H2,24,27,28);2-7,10-11H,8-9H2,1H3,(H2,22,26,27)(H3,21,23,24,25);1-6,9-10H,7-8H2,(H2,22,26,27)(H3,21,23,24,25)
InChIKeyVDJFGXHJILJVJQ-UHFFFAOYSA-N
XLogP15.65
TPSA581.90 Ų
H-Bond Donors13
H-Bond Acceptors29
Rotatable Bonds30
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002115.08
LogP ≤ 515.65
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine (CID 161267387) is 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine is Cc1c(-c2cc(NCCc3ccc(S(C)(=O)=O)cc3)nc(N)n2)ccc(Cl)c1Cl.Cc1cc(-c2cc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)ccc1F.Cc1cc(Cl)ccc1-c1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.Nc1nc(CCCc2ccc(S(N)(=O)=O)cc2)cc(-c2ccc(F)c(F)c2F)n1.Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)cc(-c2ccc(F)cc2Cl)n1.
What is the InChIKey of 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is VDJFGXHJILJVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O2S.C19H20ClN5O2S.C19H17F3N4O2S.C19H20FN5O2S.C18H17ClFN5O2S/c1-12-15(7-8-16(21)19(12)22)17-11-18(26-20(23)25-17)24-10-9-13-3-5-14(6-4-13)29(2,27)28;1-12-10-14(20)4-7-16(12)17-11-18(25-19(21)24-17)23-9-8-13-2-5-15(6-3-13)28(22,26)27;20-15-9-8-14(17(21)18(15)22)16-10-12(25-19(23)26-16)3-1-2-11-4-6-13(7-5-11)29(24,27)28;1-12-10-14(4-7-16(12)20)17-11-18(25-19(21)24-17)23-9-8-13-2-5-15(6-3-13)28(22,26)27;19-15-9-12(20)3-6-14(15)16-10-17(25-18(21)24-16)23-8-7-11-1-4-13(5-2-11)28(22,26)27/h3-8,11H,9-10H2,1-2H3,(H3,23,24,25,26);2-7,10-11H,8-9H2,1H3,(H2,22,26,27)(H3,21,23,24,25);4-10H,1-3H2,(H2,23,25,26)(H2,24,27,28);2-7,10-11H,8-9H2,1H3,(H2,22,26,27)(H3,21,23,24,25);1-6,9-10H,7-8H2,(H2,22,26,27)(H3,21,23,24,25).
What are the key properties of 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine?
4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 2115.08 g/mol, XLogP of 15.65, 30 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 161267387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).