1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2-(2-methylimidazol-1-yl)-1,3-thiazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyrimidine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;5-tert-butyl-1H-pyrimidin-2-one

C89H133N15O5S2 — CID 158039779

IUPAC1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2-(2-methylimidazol-1-yl)-1,3-thiazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyrimidine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;5-tert-butyl-1H-pyrimidin-2-one
SMILESCC(C)(C)c1ccc(=O)n(Cc2ccccc2)c1.CC(C)(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)(C)c1cnc(=O)[nH]c1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.Cc1nc(C)c(C(C)(C)C)s1.Cc1ncc(C(C)(C)C)cn1.Cc1nccn1-c1nc(C(C)(C)C)cs1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C16H19NO.C15H21NO2.C13H23N3O.C11H15N3S.C9H14N2.C9H15NS.C8H12N2O.C8H14N2/c1-16(2,3)14-9-10-15(18)17(12-14)11-13-7-5-4-6-8-13;1-15(2,3)13-6-4-12(5-7-13)14(17)16-8-10-18-11-9-16;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-8-12-5-6-14(8)10-13-9(7-15-10)11(2,3)4;1-7-10-5-8(6-11-7)9(2,3)4;1-6-8(9(3,4)5)11-7(2)10-6;1-8(2,3)6-4-9-7(11)10-5-6;1-8(2,3)7-5-9-10(4)6-7/h4-10,12H,11H2,1-3H3;4-7H,8-11H2,1-3H3;10-11H,4-9H2,1-3H3;5-7H,1-4H3;5-6H,1-4H3;1-5H3;4-5H,1-3H3,(H,9,10,11);5-6H,1-4H3
InChIKeyFIEZMQMIRQDIBF-UHFFFAOYSA-N
MW1557.28 g/mol
LogP18.02
Rot. Bonds7

About 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2-(2-methylimidazol-1-yl)-1,3-thiazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyrimidine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;5-tert-butyl-1H-pyrimidin-2-one

1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2-(2-methylimidazol-1-yl)-1,3-thiazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyrimidine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;5-tert-butyl-1H-pyrimidin-2-one (PubChem CID 158039779) has the molecular formula C89H133N15O5S2 and a molecular weight of 1557.28 g/mol. Its IUPAC name is 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2-(2-methylimidazol-1-yl)-1,3-thiazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyrimidine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;5-tert-butyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2-(2-methylimidazol-1-yl)-1,3-thiazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyrimidine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;5-tert-butyl-1H-pyrimidin-2-one
PubChem CID158039779
Molecular FormulaC89H133N15O5S2
Molecular Weight1557.28 g/mol
Exact Mass1556.01
IUPAC Name1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2-(2-methylimidazol-1-yl)-1,3-thiazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyrimidine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;5-tert-butyl-1H-pyrimidin-2-one
SMILESCC(C)(C)c1ccc(=O)n(Cc2ccccc2)c1.CC(C)(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)(C)c1cnc(=O)[nH]c1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.Cc1nc(C)c(C(C)(C)C)s1.Cc1ncc(C(C)(C)C)cn1.Cc1nccn1-c1nc(C(C)(C)C)cs1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C16H19NO.C15H21NO2.C13H23N3O.C11H15N3S.C9H14N2.C9H15NS.C8H12N2O.C8H14N2/c1-16(2,3)14-9-10-15(18)17(12-14)11-13-7-5-4-6-8-13;1-15(2,3)13-6-4-12(5-7-13)14(17)16-8-10-18-11-9-16;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-8-12-5-6-14(8)10-13-9(7-15-10)11(2,3)4;1-7-10-5-8(6-11-7)9(2,3)4;1-6-8(9(3,4)5)11-7(2)10-6;1-8(2,3)6-4-9-7(11)10-5-6;1-8(2,3)7-5-9-10(4)6-7/h4-10,12H,11H2,1-3H3;4-7H,8-11H2,1-3H3;10-11H,4-9H2,1-3H3;5-7H,1-4H3;5-6H,1-4H3;1-5H3;4-5H,1-3H3,(H,9,10,11);5-6H,1-4H3
InChIKeyFIEZMQMIRQDIBF-UHFFFAOYSA-N
XLogP18.02
TPSA214.78 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001557.28
LogP ≤ 518.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2-(2-methylimidazol-1-yl)-1,3-thiazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyrimidine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;5-tert-butyl-1H-pyrimidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2-(2-methylimidazol-1-yl)-1,3-thiazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyrimidine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;5-tert-butyl-1H-pyrimidin-2-one?
The IUPAC name of 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2-(2-methylimidazol-1-yl)-1,3-thiazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyrimidine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;5-tert-butyl-1H-pyrimidin-2-one (CID 158039779) is 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2-(2-methylimidazol-1-yl)-1,3-thiazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyrimidine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;5-tert-butyl-1H-pyrimidin-2-one.
What is the SMILES notation for 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2-(2-methylimidazol-1-yl)-1,3-thiazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyrimidine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;5-tert-butyl-1H-pyrimidin-2-one?
The canonical SMILES for 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2-(2-methylimidazol-1-yl)-1,3-thiazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyrimidine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;5-tert-butyl-1H-pyrimidin-2-one is CC(C)(C)c1ccc(=O)n(Cc2ccccc2)c1.CC(C)(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)(C)c1cnc(=O)[nH]c1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.Cc1nc(C)c(C(C)(C)C)s1.Cc1ncc(C(C)(C)C)cn1.Cc1nccn1-c1nc(C(C)(C)C)cs1.Cn1cc(C(C)(C)C)cn1.
What is the InChIKey of 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2-(2-methylimidazol-1-yl)-1,3-thiazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyrimidine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;5-tert-butyl-1H-pyrimidin-2-one?
The InChIKey is FIEZMQMIRQDIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.C15H21NO2.C13H23N3O.C11H15N3S.C9H14N2.C9H15NS.C8H12N2O.C8H14N2/c1-16(2,3)14-9-10-15(18)17(12-14)11-13-7-5-4-6-8-13;1-15(2,3)13-6-4-12(5-7-13)14(17)16-8-10-18-11-9-16;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-8-12-5-6-14(8)10-13-9(7-15-10)11(2,3)4;1-7-10-5-8(6-11-7)9(2,3)4;1-6-8(9(3,4)5)11-7(2)10-6;1-8(2,3)6-4-9-7(11)10-5-6;1-8(2,3)7-5-9-10(4)6-7/h4-10,12H,11H2,1-3H3;4-7H,8-11H2,1-3H3;10-11H,4-9H2,1-3H3;5-7H,1-4H3;5-6H,1-4H3;1-5H3;4-5H,1-3H3,(H,9,10,11);5-6H,1-4H3.
What are the key properties of 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2-(2-methylimidazol-1-yl)-1,3-thiazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyrimidine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;5-tert-butyl-1H-pyrimidin-2-one?
1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2-(2-methylimidazol-1-yl)-1,3-thiazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyrimidine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;5-tert-butyl-1H-pyrimidin-2-one has a molecular weight of 1557.28 g/mol, XLogP of 18.02, 7 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2-(2-methylimidazol-1-yl)-1,3-thiazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyrimidine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;5-tert-butyl-1H-pyrimidin-2-one is sourced from PubChem (CID 158039779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).