4-[(6-tert-butyl-4-chloro-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-2-cyclopropyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;2-tert-butyl-3-methoxy-6-methyl-5-(pyridin-2-ylmethylsulfonyl)pyridine;4-[(6-tert-butyl-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-4-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(2-ethyl-6-propan-2-yl-3-pyridinyl)sulfonylmethyl]pyrimidine;5-ethyl-6-propan-2-yl-N-pyrimidin-4-ylpyridine-3-sulfonamide

C122H152ClFN24O17S8 — CID 159506577

IUPAC4-[(6-tert-butyl-4-chloro-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-2-cyclopropyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;2-tert-butyl-3-methoxy-6-methyl-5-(pyridin-2-ylmethylsulfonyl)pyridine;4-[(6-tert-butyl-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-4-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(2-ethyl-6-propan-2-yl-3-pyridinyl)sulfonylmethyl]pyrimidine;5-ethyl-6-propan-2-yl-N-pyrimidin-4-ylpyridine-3-sulfonamide
SMILESCC(C)(C)c1cc(Cl)c(S(=O)(=O)Cc2ccncn2)cn1.CC(C)(C)c1ccc(S(=O)(=O)Cc2ccncn2)c(C2CC2)n1.CCc1cc(S(=O)(=O)Nc2ccncn2)cnc1C(C)C.CCc1nc(C(C)C)ccc1S(=O)(=O)Cc1ccncn1.COc1cc(S(=O)(=O)Cc2ccccn2)c(C)nc1C(C)(C)C.Cc1cc(C(C)(C)C)ncc1S(=O)(=O)Cc1ccncn1.Cc1nc(C(C)(C)C)c(F)cc1S(=O)(=O)Cc1ccncn1.Cc1nc(C(C)(C)C)ccc1S(=O)(=O)Cc1ccncn1
InChIInChI=1S/C17H21N3O2S.C17H22N2O3S.C15H18FN3O2S.3C15H19N3O2S.C14H16ClN3O2S.C14H18N4O2S/c1-17(2,3)15-7-6-14(16(20-15)12-4-5-12)23(21,22)10-13-8-9-18-11-19-13;1-12-15(10-14(22-5)16(19-12)17(2,3)4)23(20,21)11-13-8-6-7-9-18-13;1-10-13(7-12(16)14(19-10)15(2,3)4)22(20,21)8-11-5-6-17-9-18-11;1-11-7-14(15(2,3)4)17-8-13(11)21(19,20)9-12-5-6-16-10-18-12;1-11-13(5-6-14(18-11)15(2,3)4)21(19,20)9-12-7-8-16-10-17-12;1-4-13-15(6-5-14(18-13)11(2)3)21(19,20)9-12-7-8-16-10-17-12;1-14(2,3)13-6-11(15)12(7-17-13)21(19,20)8-10-4-5-16-9-18-10;1-4-11-7-12(8-16-14(11)10(2)3)21(19,20)18-13-5-6-15-9-17-13/h6-9,11-12H,4-5,10H2,1-3H3;6-10H,11H2,1-5H3;5-7,9H,8H2,1-4H3;2*5-8,10H,9H2,1-4H3;5-8,10-11H,4,9H2,1-3H3;4-7,9H,8H2,1-3H3;5-10H,4H2,1-3H3,(H,15,17,18)
InChIKeyMABILPATWDAFKK-UHFFFAOYSA-N
MW2537.70 g/mol
LogP21.26
Rot. Bonds30

About 4-[(6-tert-butyl-4-chloro-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-2-cyclopropyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;2-tert-butyl-3-methoxy-6-methyl-5-(pyridin-2-ylmethylsulfonyl)pyridine;4-[(6-tert-butyl-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-4-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(2-ethyl-6-propan-2-yl-3-pyridinyl)sulfonylmethyl]pyrimidine;5-ethyl-6-propan-2-yl-N-pyrimidin-4-ylpyridine-3-sulfonamide

4-[(6-tert-butyl-4-chloro-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-2-cyclopropyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;2-tert-butyl-3-methoxy-6-methyl-5-(pyridin-2-ylmethylsulfonyl)pyridine;4-[(6-tert-butyl-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-4-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(2-ethyl-6-propan-2-yl-3-pyridinyl)sulfonylmethyl]pyrimidine;5-ethyl-6-propan-2-yl-N-pyrimidin-4-ylpyridine-3-sulfonamide (PubChem CID 159506577) has the molecular formula C122H152ClFN24O17S8 and a molecular weight of 2537.70 g/mol. Its IUPAC name is 4-[(6-tert-butyl-4-chloro-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-2-cyclopropyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;2-tert-butyl-3-methoxy-6-methyl-5-(pyridin-2-ylmethylsulfonyl)pyridine;4-[(6-tert-butyl-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-4-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(2-ethyl-6-propan-2-yl-3-pyridinyl)sulfonylmethyl]pyrimidine;5-ethyl-6-propan-2-yl-N-pyrimidin-4-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name4-[(6-tert-butyl-4-chloro-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-2-cyclopropyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;2-tert-butyl-3-methoxy-6-methyl-5-(pyridin-2-ylmethylsulfonyl)pyridine;4-[(6-tert-butyl-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-4-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(2-ethyl-6-propan-2-yl-3-pyridinyl)sulfonylmethyl]pyrimidine;5-ethyl-6-propan-2-yl-N-pyrimidin-4-ylpyridine-3-sulfonamide
PubChem CID159506577
Molecular FormulaC122H152ClFN24O17S8
Molecular Weight2537.70 g/mol
Exact Mass2534.92
IUPAC Name4-[(6-tert-butyl-4-chloro-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-2-cyclopropyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;2-tert-butyl-3-methoxy-6-methyl-5-(pyridin-2-ylmethylsulfonyl)pyridine;4-[(6-tert-butyl-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-4-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(2-ethyl-6-propan-2-yl-3-pyridinyl)sulfonylmethyl]pyrimidine;5-ethyl-6-propan-2-yl-N-pyrimidin-4-ylpyridine-3-sulfonamide
SMILESCC(C)(C)c1cc(Cl)c(S(=O)(=O)Cc2ccncn2)cn1.CC(C)(C)c1ccc(S(=O)(=O)Cc2ccncn2)c(C2CC2)n1.CCc1cc(S(=O)(=O)Nc2ccncn2)cnc1C(C)C.CCc1nc(C(C)C)ccc1S(=O)(=O)Cc1ccncn1.COc1cc(S(=O)(=O)Cc2ccccn2)c(C)nc1C(C)(C)C.Cc1cc(C(C)(C)C)ncc1S(=O)(=O)Cc1ccncn1.Cc1nc(C(C)(C)C)c(F)cc1S(=O)(=O)Cc1ccncn1.Cc1nc(C(C)(C)C)ccc1S(=O)(=O)Cc1ccncn1
InChIInChI=1S/C17H21N3O2S.C17H22N2O3S.C15H18FN3O2S.3C15H19N3O2S.C14H16ClN3O2S.C14H18N4O2S/c1-17(2,3)15-7-6-14(16(20-15)12-4-5-12)23(21,22)10-13-8-9-18-11-19-13;1-12-15(10-14(22-5)16(19-12)17(2,3)4)23(20,21)11-13-8-6-7-9-18-13;1-10-13(7-12(16)14(19-10)15(2,3)4)22(20,21)8-11-5-6-17-9-18-11;1-11-7-14(15(2,3)4)17-8-13(11)21(19,20)9-12-5-6-16-10-18-12;1-11-13(5-6-14(18-11)15(2,3)4)21(19,20)9-12-7-8-16-10-17-12;1-4-13-15(6-5-14(18-13)11(2)3)21(19,20)9-12-7-8-16-10-17-12;1-14(2,3)13-6-11(15)12(7-17-13)21(19,20)8-10-4-5-16-9-18-10;1-4-11-7-12(8-16-14(11)10(2)3)21(19,20)18-13-5-6-15-9-17-13/h6-9,11-12H,4-5,10H2,1-3H3;6-10H,11H2,1-5H3;5-7,9H,8H2,1-4H3;2*5-8,10H,9H2,1-4H3;5-8,10-11H,4,9H2,1-3H3;4-7,9H,8H2,1-3H3;5-10H,4H2,1-3H3,(H,15,17,18)
InChIKeyMABILPATWDAFKK-UHFFFAOYSA-N
XLogP21.26
TPSA590.85 Ų
H-Bond Donors1
H-Bond Acceptors40
Rotatable Bonds30
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002537.70
LogP ≤ 521.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1040

Analyze 4-[(6-tert-butyl-4-chloro-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-2-cyclopropyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;2-tert-butyl-3-methoxy-6-methyl-5-(pyridin-2-ylmethylsulfonyl)pyridine;4-[(6-tert-butyl-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-4-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(2-ethyl-6-propan-2-yl-3-pyridinyl)sulfonylmethyl]pyrimidine;5-ethyl-6-propan-2-yl-N-pyrimidin-4-ylpyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-tert-butyl-4-chloro-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-2-cyclopropyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;2-tert-butyl-3-methoxy-6-methyl-5-(pyridin-2-ylmethylsulfonyl)pyridine;4-[(6-tert-butyl-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-4-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(2-ethyl-6-propan-2-yl-3-pyridinyl)sulfonylmethyl]pyrimidine;5-ethyl-6-propan-2-yl-N-pyrimidin-4-ylpyridine-3-sulfonamide?
The IUPAC name of 4-[(6-tert-butyl-4-chloro-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-2-cyclopropyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;2-tert-butyl-3-methoxy-6-methyl-5-(pyridin-2-ylmethylsulfonyl)pyridine;4-[(6-tert-butyl-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-4-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(2-ethyl-6-propan-2-yl-3-pyridinyl)sulfonylmethyl]pyrimidine;5-ethyl-6-propan-2-yl-N-pyrimidin-4-ylpyridine-3-sulfonamide (CID 159506577) is 4-[(6-tert-butyl-4-chloro-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-2-cyclopropyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;2-tert-butyl-3-methoxy-6-methyl-5-(pyridin-2-ylmethylsulfonyl)pyridine;4-[(6-tert-butyl-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-4-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(2-ethyl-6-propan-2-yl-3-pyridinyl)sulfonylmethyl]pyrimidine;5-ethyl-6-propan-2-yl-N-pyrimidin-4-ylpyridine-3-sulfonamide.
What is the SMILES notation for 4-[(6-tert-butyl-4-chloro-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-2-cyclopropyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;2-tert-butyl-3-methoxy-6-methyl-5-(pyridin-2-ylmethylsulfonyl)pyridine;4-[(6-tert-butyl-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-4-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(2-ethyl-6-propan-2-yl-3-pyridinyl)sulfonylmethyl]pyrimidine;5-ethyl-6-propan-2-yl-N-pyrimidin-4-ylpyridine-3-sulfonamide?
The canonical SMILES for 4-[(6-tert-butyl-4-chloro-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-2-cyclopropyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;2-tert-butyl-3-methoxy-6-methyl-5-(pyridin-2-ylmethylsulfonyl)pyridine;4-[(6-tert-butyl-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-4-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(2-ethyl-6-propan-2-yl-3-pyridinyl)sulfonylmethyl]pyrimidine;5-ethyl-6-propan-2-yl-N-pyrimidin-4-ylpyridine-3-sulfonamide is CC(C)(C)c1cc(Cl)c(S(=O)(=O)Cc2ccncn2)cn1.CC(C)(C)c1ccc(S(=O)(=O)Cc2ccncn2)c(C2CC2)n1.CCc1cc(S(=O)(=O)Nc2ccncn2)cnc1C(C)C.CCc1nc(C(C)C)ccc1S(=O)(=O)Cc1ccncn1.COc1cc(S(=O)(=O)Cc2ccccn2)c(C)nc1C(C)(C)C.Cc1cc(C(C)(C)C)ncc1S(=O)(=O)Cc1ccncn1.Cc1nc(C(C)(C)C)c(F)cc1S(=O)(=O)Cc1ccncn1.Cc1nc(C(C)(C)C)ccc1S(=O)(=O)Cc1ccncn1.
What is the InChIKey of 4-[(6-tert-butyl-4-chloro-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-2-cyclopropyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;2-tert-butyl-3-methoxy-6-methyl-5-(pyridin-2-ylmethylsulfonyl)pyridine;4-[(6-tert-butyl-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-4-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(2-ethyl-6-propan-2-yl-3-pyridinyl)sulfonylmethyl]pyrimidine;5-ethyl-6-propan-2-yl-N-pyrimidin-4-ylpyridine-3-sulfonamide?
The InChIKey is MABILPATWDAFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S.C17H22N2O3S.C15H18FN3O2S.3C15H19N3O2S.C14H16ClN3O2S.C14H18N4O2S/c1-17(2,3)15-7-6-14(16(20-15)12-4-5-12)23(21,22)10-13-8-9-18-11-19-13;1-12-15(10-14(22-5)16(19-12)17(2,3)4)23(20,21)11-13-8-6-7-9-18-13;1-10-13(7-12(16)14(19-10)15(2,3)4)22(20,21)8-11-5-6-17-9-18-11;1-11-7-14(15(2,3)4)17-8-13(11)21(19,20)9-12-5-6-16-10-18-12;1-11-13(5-6-14(18-11)15(2,3)4)21(19,20)9-12-7-8-16-10-17-12;1-4-13-15(6-5-14(18-13)11(2)3)21(19,20)9-12-7-8-16-10-17-12;1-14(2,3)13-6-11(15)12(7-17-13)21(19,20)8-10-4-5-16-9-18-10;1-4-11-7-12(8-16-14(11)10(2)3)21(19,20)18-13-5-6-15-9-17-13/h6-9,11-12H,4-5,10H2,1-3H3;6-10H,11H2,1-5H3;5-7,9H,8H2,1-4H3;2*5-8,10H,9H2,1-4H3;5-8,10-11H,4,9H2,1-3H3;4-7,9H,8H2,1-3H3;5-10H,4H2,1-3H3,(H,15,17,18).
What are the key properties of 4-[(6-tert-butyl-4-chloro-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-2-cyclopropyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;2-tert-butyl-3-methoxy-6-methyl-5-(pyridin-2-ylmethylsulfonyl)pyridine;4-[(6-tert-butyl-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-4-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(2-ethyl-6-propan-2-yl-3-pyridinyl)sulfonylmethyl]pyrimidine;5-ethyl-6-propan-2-yl-N-pyrimidin-4-ylpyridine-3-sulfonamide?
4-[(6-tert-butyl-4-chloro-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-2-cyclopropyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;2-tert-butyl-3-methoxy-6-methyl-5-(pyridin-2-ylmethylsulfonyl)pyridine;4-[(6-tert-butyl-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-4-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(2-ethyl-6-propan-2-yl-3-pyridinyl)sulfonylmethyl]pyrimidine;5-ethyl-6-propan-2-yl-N-pyrimidin-4-ylpyridine-3-sulfonamide has a molecular weight of 2537.70 g/mol, XLogP of 21.26, 30 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-tert-butyl-4-chloro-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-2-cyclopropyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;2-tert-butyl-3-methoxy-6-methyl-5-(pyridin-2-ylmethylsulfonyl)pyridine;4-[(6-tert-butyl-2-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(6-tert-butyl-4-methyl-3-pyridinyl)sulfonylmethyl]pyrimidine;4-[(2-ethyl-6-propan-2-yl-3-pyridinyl)sulfonylmethyl]pyrimidine;5-ethyl-6-propan-2-yl-N-pyrimidin-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 159506577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).