1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(3-fluoro-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-oxazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone

C87H75ClF4N20O6S2 — CID 157485563

IUPAC1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(3-fluoro-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-oxazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone
SMILESCN(c1cncnc1)c1cc(F)cc(C(=O)Cc2ncccc2F)c1.CN(c1cncnc1)c1cccc(C(=O)Cc2nccs2)c1.Cc1ccc(CC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)nc1.Cc1coc(CC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)n1.Cc1csc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)n1
InChIInChI=1S/C19H17FN4O.C18H14F2N4O.C17H15ClN4OS.C17H15FN4O2.C16H14N4OS/c1-13-3-4-16(23-9-13)8-19(25)14-5-15(20)7-17(6-14)24(2)18-10-21-12-22-11-18;1-24(15-9-21-11-22-10-15)14-6-12(5-13(19)7-14)18(25)8-17-16(20)3-2-4-23-17;2*1-11-9-24-17(21-11)6-16(23)12-3-13(18)5-14(4-12)22(2)15-7-19-10-20-8-15;1-20(14-9-17-11-18-10-14)13-4-2-3-12(7-13)15(21)8-16-19-5-6-22-16/h3-7,9-12H,8H2,1-2H3;2-7,9-11H,8H2,1H3;2*3-5,7-10H,6H2,1-2H3;2-7,9-11H,8H2,1H3
InChIKeyBWRCFGRUYQLVIO-UHFFFAOYSA-N
MW1672.27 g/mol
LogP17.18
Rot. Bonds25

About 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(3-fluoro-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-oxazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone

1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(3-fluoro-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-oxazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 157485563) has the molecular formula C87H75ClF4N20O6S2 and a molecular weight of 1672.27 g/mol. Its IUPAC name is 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(3-fluoro-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-oxazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(3-fluoro-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-oxazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone
PubChem CID157485563
Molecular FormulaC87H75ClF4N20O6S2
Molecular Weight1672.27 g/mol
Exact Mass1670.52
IUPAC Name1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(3-fluoro-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-oxazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone
SMILESCN(c1cncnc1)c1cc(F)cc(C(=O)Cc2ncccc2F)c1.CN(c1cncnc1)c1cccc(C(=O)Cc2nccs2)c1.Cc1ccc(CC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)nc1.Cc1coc(CC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)n1.Cc1csc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)n1
InChIInChI=1S/C19H17FN4O.C18H14F2N4O.C17H15ClN4OS.C17H15FN4O2.C16H14N4OS/c1-13-3-4-16(23-9-13)8-19(25)14-5-15(20)7-17(6-14)24(2)18-10-21-12-22-11-18;1-24(15-9-21-11-22-10-15)14-6-12(5-13(19)7-14)18(25)8-17-16(20)3-2-4-23-17;2*1-11-9-24-17(21-11)6-16(23)12-3-13(18)5-14(4-12)22(2)15-7-19-10-20-8-15;1-20(14-9-17-11-18-10-14)13-4-2-3-12(7-13)15(21)8-16-19-5-6-22-16/h3-7,9-12H,8H2,1-2H3;2-7,9-11H,8H2,1H3;2*3-5,7-10H,6H2,1-2H3;2-7,9-11H,8H2,1H3
InChIKeyBWRCFGRUYQLVIO-UHFFFAOYSA-N
XLogP17.18
TPSA308.04 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001672.27
LogP ≤ 517.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(3-fluoro-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-oxazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(3-fluoro-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-oxazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(3-fluoro-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-oxazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone (CID 157485563) is 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(3-fluoro-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-oxazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(3-fluoro-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-oxazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(3-fluoro-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-oxazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone is CN(c1cncnc1)c1cc(F)cc(C(=O)Cc2ncccc2F)c1.CN(c1cncnc1)c1cccc(C(=O)Cc2nccs2)c1.Cc1ccc(CC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)nc1.Cc1coc(CC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)n1.Cc1csc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)n1.
What is the InChIKey of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(3-fluoro-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-oxazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is BWRCFGRUYQLVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O.C18H14F2N4O.C17H15ClN4OS.C17H15FN4O2.C16H14N4OS/c1-13-3-4-16(23-9-13)8-19(25)14-5-15(20)7-17(6-14)24(2)18-10-21-12-22-11-18;1-24(15-9-21-11-22-10-15)14-6-12(5-13(19)7-14)18(25)8-17-16(20)3-2-4-23-17;2*1-11-9-24-17(21-11)6-16(23)12-3-13(18)5-14(4-12)22(2)15-7-19-10-20-8-15;1-20(14-9-17-11-18-10-14)13-4-2-3-12(7-13)15(21)8-16-19-5-6-22-16/h3-7,9-12H,8H2,1-2H3;2-7,9-11H,8H2,1H3;2*3-5,7-10H,6H2,1-2H3;2-7,9-11H,8H2,1H3.
What are the key properties of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(3-fluoro-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-oxazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone?
1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(3-fluoro-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-oxazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 1672.27 g/mol, XLogP of 17.18, 25 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(3-fluoro-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-oxazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 157485563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).