2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-dimethoxy-6-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyrimidine;2-ethoxy-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyrimidine;2-(methoxymethyl)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;(2S)-3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;2-methyl-4-propan-2-ylpyrimidine;2-(oxan-4-yl)-4-propan-2-ylpyridine;4-propan-2-yl-2-propan-2-yloxypyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;(2R)-3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;4-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine

C224H341F3N38O24 — CID 158663659

IUPAC2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-dimethoxy-6-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyrimidine;2-ethoxy-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyrimidine;2-(methoxymethyl)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;(2S)-3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;2-methyl-4-propan-2-ylpyrimidine;2-(oxan-4-yl)-4-propan-2-ylpyridine;4-propan-2-yl-2-propan-2-yloxypyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;(2R)-3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;4-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine
SMILESCC(C)Oc1nccc(C(C)C)n1.CC(C)c1cc[nH]c(=O)c1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1ccnc(C2CC2)n1.CC(C)c1ccnc(C2CCOCC2)c1.CC(C)c1ccnc(CN2CCCC2)c1.CC(C)c1ccnc(CN2CCOCC2)c1.CC(C)c1ccnc(CN2CCOCC2)n1.CC(C)c1ccnc(OCC(F)(F)F)c1.CC(C)c1ccnc(OCC(O)CO)n1.CC(C)c1ccnc(OC[C@H](O)CO)c1.CC(C)c1ccncn1.CCOc1cc(C(C)C)ccn1.CCOc1nccc(C(C)C)n1.COCc1nccc(C(C)C)n1.COc1cc(C(C)C)nc(OC)n1.COc1nccc(C(C)C)n1.Cc1cc(C(C)C)cc(OCC(O)CO)n1.Cc1cc(C(C)C)cc(OC[C@@H](O)CO)n1.Cc1cc(C(C)C)nc(C)n1.Cc1nccc(C(C)C)n1
InChIInChI=1S/C13H20N2O.C13H20N2.C13H19NO.C12H19N3O.2C12H19NO3.C11H18N2.C11H17NO3.C10H12F3NO.C10H16N2O3.C10H16N2O.C10H14N2.C10H16N2.C10H15NO.C9H14N2O2.2C9H14N2O.C9H14N2.C8H12N2O.C8H12N2.C8H11NO.C7H10N2/c1-11(2)12-3-4-14-13(9-12)10-15-5-7-16-8-6-15;1-11(2)12-5-6-14-13(9-12)10-15-7-3-4-8-15;1-10(2)12-3-6-14-13(9-12)11-4-7-15-8-5-11;1-10(2)11-3-4-13-12(14-11)9-15-5-7-16-8-6-15;2*1-8(2)10-4-9(3)13-12(5-10)16-7-11(15)6-14;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-8(2)9-3-4-12-11(5-9)15-7-10(14)6-13;1-7(2)8-3-4-14-9(5-8)15-6-10(11,12)13;1-7(2)9-3-4-11-10(12-9)15-6-8(14)5-13;1-7(2)9-5-6-11-10(12-9)13-8(3)4;1-7(2)9-5-6-11-10(12-9)8-3-4-8;1-7(2)9-5-6-11-10(12-9)8(3)4;1-4-12-10-7-9(8(2)3)5-6-11-10;1-6(2)7-5-8(12-3)11-9(10-7)13-4;1-7(2)8-4-5-10-9(11-8)6-12-3;1-4-12-9-10-6-5-8(11-9)7(2)3;1-6(2)9-5-7(3)10-8(4)11-9;1-6(2)7-4-5-9-8(10-7)11-3;1-6(2)8-4-5-9-7(3)10-8;1-6(2)7-3-4-9-8(10)5-7;1-6(2)7-3-4-8-5-9-7/h3-4,9,11H,5-8,10H2,1-2H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;3-4,10H,5-9H2,1-2H3;2*4-5,8,11,14-15H,6-7H2,1-3H3;6-8H,1-5H3;3-5,8,10,13-14H,6-7H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,7-8,13-14H,5-6H2,1-2H3;5-8H,1-4H3;5-8H,3-4H2,1-2H3;5-8H,1-4H3;5-8H,4H2,1-3H3;5-6H,1-4H3;4-5,7H,6H2,1-3H3;5-7H,4H2,1-3H3;5-6H,1-4H3;4-6H,1-3H3;4-6H,1-3H3;3-6H,1-2H3,(H,9,10);3-6H,1-2H3/t;;;;11-;;;10-;;;;;;;;;;;;;;/m....0..1............../s1
InChIKeyIDBOXOHYUGBOOH-IVVQBKTISA-N
MW4007.43 g/mol
LogP43.56
Rot. Bonds60

About 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-dimethoxy-6-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyrimidine;2-ethoxy-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyrimidine;2-(methoxymethyl)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;(2S)-3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;2-methyl-4-propan-2-ylpyrimidine;2-(oxan-4-yl)-4-propan-2-ylpyridine;4-propan-2-yl-2-propan-2-yloxypyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;(2R)-3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;4-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine

2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-dimethoxy-6-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyrimidine;2-ethoxy-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyrimidine;2-(methoxymethyl)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;(2S)-3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;2-methyl-4-propan-2-ylpyrimidine;2-(oxan-4-yl)-4-propan-2-ylpyridine;4-propan-2-yl-2-propan-2-yloxypyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;(2R)-3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;4-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 158663659) has the molecular formula C224H341F3N38O24 and a molecular weight of 4007.43 g/mol. Its IUPAC name is 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-dimethoxy-6-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyrimidine;2-ethoxy-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyrimidine;2-(methoxymethyl)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;(2S)-3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;2-methyl-4-propan-2-ylpyrimidine;2-(oxan-4-yl)-4-propan-2-ylpyridine;4-propan-2-yl-2-propan-2-yloxypyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;(2R)-3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;4-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-dimethoxy-6-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyrimidine;2-ethoxy-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyrimidine;2-(methoxymethyl)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;(2S)-3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;2-methyl-4-propan-2-ylpyrimidine;2-(oxan-4-yl)-4-propan-2-ylpyridine;4-propan-2-yl-2-propan-2-yloxypyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;(2R)-3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;4-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine
PubChem CID158663659
Molecular FormulaC224H341F3N38O24
Molecular Weight4007.43 g/mol
Exact Mass4004.66
IUPAC Name2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-dimethoxy-6-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyrimidine;2-ethoxy-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyrimidine;2-(methoxymethyl)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;(2S)-3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;2-methyl-4-propan-2-ylpyrimidine;2-(oxan-4-yl)-4-propan-2-ylpyridine;4-propan-2-yl-2-propan-2-yloxypyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;(2R)-3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;4-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine
SMILESCC(C)Oc1nccc(C(C)C)n1.CC(C)c1cc[nH]c(=O)c1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1ccnc(C2CC2)n1.CC(C)c1ccnc(C2CCOCC2)c1.CC(C)c1ccnc(CN2CCCC2)c1.CC(C)c1ccnc(CN2CCOCC2)c1.CC(C)c1ccnc(CN2CCOCC2)n1.CC(C)c1ccnc(OCC(F)(F)F)c1.CC(C)c1ccnc(OCC(O)CO)n1.CC(C)c1ccnc(OC[C@H](O)CO)c1.CC(C)c1ccncn1.CCOc1cc(C(C)C)ccn1.CCOc1nccc(C(C)C)n1.COCc1nccc(C(C)C)n1.COc1cc(C(C)C)nc(OC)n1.COc1nccc(C(C)C)n1.Cc1cc(C(C)C)cc(OCC(O)CO)n1.Cc1cc(C(C)C)cc(OC[C@@H](O)CO)n1.Cc1cc(C(C)C)nc(C)n1.Cc1nccc(C(C)C)n1
InChIInChI=1S/C13H20N2O.C13H20N2.C13H19NO.C12H19N3O.2C12H19NO3.C11H18N2.C11H17NO3.C10H12F3NO.C10H16N2O3.C10H16N2O.C10H14N2.C10H16N2.C10H15NO.C9H14N2O2.2C9H14N2O.C9H14N2.C8H12N2O.C8H12N2.C8H11NO.C7H10N2/c1-11(2)12-3-4-14-13(9-12)10-15-5-7-16-8-6-15;1-11(2)12-5-6-14-13(9-12)10-15-7-3-4-8-15;1-10(2)12-3-6-14-13(9-12)11-4-7-15-8-5-11;1-10(2)11-3-4-13-12(14-11)9-15-5-7-16-8-6-15;2*1-8(2)10-4-9(3)13-12(5-10)16-7-11(15)6-14;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-8(2)9-3-4-12-11(5-9)15-7-10(14)6-13;1-7(2)8-3-4-14-9(5-8)15-6-10(11,12)13;1-7(2)9-3-4-11-10(12-9)15-6-8(14)5-13;1-7(2)9-5-6-11-10(12-9)13-8(3)4;1-7(2)9-5-6-11-10(12-9)8-3-4-8;1-7(2)9-5-6-11-10(12-9)8(3)4;1-4-12-10-7-9(8(2)3)5-6-11-10;1-6(2)7-5-8(12-3)11-9(10-7)13-4;1-7(2)8-4-5-10-9(11-8)6-12-3;1-4-12-9-10-6-5-8(11-9)7(2)3;1-6(2)9-5-7(3)10-8(4)11-9;1-6(2)7-4-5-9-8(10-7)11-3;1-6(2)8-4-5-9-7(3)10-8;1-6(2)7-3-4-9-8(10)5-7;1-6(2)7-3-4-8-5-9-7/h3-4,9,11H,5-8,10H2,1-2H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;3-4,10H,5-9H2,1-2H3;2*4-5,8,11,14-15H,6-7H2,1-3H3;6-8H,1-5H3;3-5,8,10,13-14H,6-7H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,7-8,13-14H,5-6H2,1-2H3;5-8H,1-4H3;5-8H,3-4H2,1-2H3;5-8H,1-4H3;5-8H,4H2,1-3H3;5-6H,1-4H3;4-5,7H,6H2,1-3H3;5-7H,4H2,1-3H3;5-6H,1-4H3;4-6H,1-3H3;4-6H,1-3H3;3-6H,1-2H3,(H,9,10);3-6H,1-2H3/t;;;;11-;;;10-;;;;;;;;;;;;;;/m....0..1............../s1
InChIKeyIDBOXOHYUGBOOH-IVVQBKTISA-N
XLogP43.56
TPSA781.13 Ų
H-Bond Donors9
H-Bond Acceptors61
Rotatable Bonds60
Heavy Atoms289
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004007.43
LogP ≤ 543.56
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1061

Analyze 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-dimethoxy-6-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyrimidine;2-ethoxy-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyrimidine;2-(methoxymethyl)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;(2S)-3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;2-methyl-4-propan-2-ylpyrimidine;2-(oxan-4-yl)-4-propan-2-ylpyridine;4-propan-2-yl-2-propan-2-yloxypyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;(2R)-3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;4-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-dimethoxy-6-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyrimidine;2-ethoxy-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyrimidine;2-(methoxymethyl)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;(2S)-3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;2-methyl-4-propan-2-ylpyrimidine;2-(oxan-4-yl)-4-propan-2-ylpyridine;4-propan-2-yl-2-propan-2-yloxypyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;(2R)-3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;4-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-dimethoxy-6-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyrimidine;2-ethoxy-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyrimidine;2-(methoxymethyl)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;(2S)-3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;2-methyl-4-propan-2-ylpyrimidine;2-(oxan-4-yl)-4-propan-2-ylpyridine;4-propan-2-yl-2-propan-2-yloxypyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;(2R)-3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;4-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine (CID 158663659) is 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-dimethoxy-6-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyrimidine;2-ethoxy-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyrimidine;2-(methoxymethyl)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;(2S)-3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;2-methyl-4-propan-2-ylpyrimidine;2-(oxan-4-yl)-4-propan-2-ylpyridine;4-propan-2-yl-2-propan-2-yloxypyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;(2R)-3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;4-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-dimethoxy-6-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyrimidine;2-ethoxy-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyrimidine;2-(methoxymethyl)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;(2S)-3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;2-methyl-4-propan-2-ylpyrimidine;2-(oxan-4-yl)-4-propan-2-ylpyridine;4-propan-2-yl-2-propan-2-yloxypyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;(2R)-3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;4-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-dimethoxy-6-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyrimidine;2-ethoxy-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyrimidine;2-(methoxymethyl)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;(2S)-3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;2-methyl-4-propan-2-ylpyrimidine;2-(oxan-4-yl)-4-propan-2-ylpyridine;4-propan-2-yl-2-propan-2-yloxypyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;(2R)-3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;4-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine is CC(C)Oc1nccc(C(C)C)n1.CC(C)c1cc[nH]c(=O)c1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1ccnc(C2CC2)n1.CC(C)c1ccnc(C2CCOCC2)c1.CC(C)c1ccnc(CN2CCCC2)c1.CC(C)c1ccnc(CN2CCOCC2)c1.CC(C)c1ccnc(CN2CCOCC2)n1.CC(C)c1ccnc(OCC(F)(F)F)c1.CC(C)c1ccnc(OCC(O)CO)n1.CC(C)c1ccnc(OC[C@H](O)CO)c1.CC(C)c1ccncn1.CCOc1cc(C(C)C)ccn1.CCOc1nccc(C(C)C)n1.COCc1nccc(C(C)C)n1.COc1cc(C(C)C)nc(OC)n1.COc1nccc(C(C)C)n1.Cc1cc(C(C)C)cc(OCC(O)CO)n1.Cc1cc(C(C)C)cc(OC[C@@H](O)CO)n1.Cc1cc(C(C)C)nc(C)n1.Cc1nccc(C(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-dimethoxy-6-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyrimidine;2-ethoxy-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyrimidine;2-(methoxymethyl)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;(2S)-3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;2-methyl-4-propan-2-ylpyrimidine;2-(oxan-4-yl)-4-propan-2-ylpyridine;4-propan-2-yl-2-propan-2-yloxypyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;(2R)-3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;4-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is IDBOXOHYUGBOOH-IVVQBKTISA-N. The full InChI is InChI=1S/C13H20N2O.C13H20N2.C13H19NO.C12H19N3O.2C12H19NO3.C11H18N2.C11H17NO3.C10H12F3NO.C10H16N2O3.C10H16N2O.C10H14N2.C10H16N2.C10H15NO.C9H14N2O2.2C9H14N2O.C9H14N2.C8H12N2O.C8H12N2.C8H11NO.C7H10N2/c1-11(2)12-3-4-14-13(9-12)10-15-5-7-16-8-6-15;1-11(2)12-5-6-14-13(9-12)10-15-7-3-4-8-15;1-10(2)12-3-6-14-13(9-12)11-4-7-15-8-5-11;1-10(2)11-3-4-13-12(14-11)9-15-5-7-16-8-6-15;2*1-8(2)10-4-9(3)13-12(5-10)16-7-11(15)6-14;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-8(2)9-3-4-12-11(5-9)15-7-10(14)6-13;1-7(2)8-3-4-14-9(5-8)15-6-10(11,12)13;1-7(2)9-3-4-11-10(12-9)15-6-8(14)5-13;1-7(2)9-5-6-11-10(12-9)13-8(3)4;1-7(2)9-5-6-11-10(12-9)8-3-4-8;1-7(2)9-5-6-11-10(12-9)8(3)4;1-4-12-10-7-9(8(2)3)5-6-11-10;1-6(2)7-5-8(12-3)11-9(10-7)13-4;1-7(2)8-4-5-10-9(11-8)6-12-3;1-4-12-9-10-6-5-8(11-9)7(2)3;1-6(2)9-5-7(3)10-8(4)11-9;1-6(2)7-4-5-9-8(10-7)11-3;1-6(2)8-4-5-9-7(3)10-8;1-6(2)7-3-4-9-8(10)5-7;1-6(2)7-3-4-8-5-9-7/h3-4,9,11H,5-8,10H2,1-2H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;3-4,10H,5-9H2,1-2H3;2*4-5,8,11,14-15H,6-7H2,1-3H3;6-8H,1-5H3;3-5,8,10,13-14H,6-7H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,7-8,13-14H,5-6H2,1-2H3;5-8H,1-4H3;5-8H,3-4H2,1-2H3;5-8H,1-4H3;5-8H,4H2,1-3H3;5-6H,1-4H3;4-5,7H,6H2,1-3H3;5-7H,4H2,1-3H3;5-6H,1-4H3;4-6H,1-3H3;4-6H,1-3H3;3-6H,1-2H3,(H,9,10);3-6H,1-2H3/t;;;;11-;;;10-;;;;;;;;;;;;;;/m....0..1............../s1.
What are the key properties of 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-dimethoxy-6-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyrimidine;2-ethoxy-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyrimidine;2-(methoxymethyl)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;(2S)-3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;2-methyl-4-propan-2-ylpyrimidine;2-(oxan-4-yl)-4-propan-2-ylpyridine;4-propan-2-yl-2-propan-2-yloxypyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;(2R)-3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;4-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine?
2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-dimethoxy-6-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyrimidine;2-ethoxy-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyrimidine;2-(methoxymethyl)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;(2S)-3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;2-methyl-4-propan-2-ylpyrimidine;2-(oxan-4-yl)-4-propan-2-ylpyridine;4-propan-2-yl-2-propan-2-yloxypyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;(2R)-3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;4-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 4007.43 g/mol, XLogP of 43.56, 60 rotatable bonds, 9 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-dimethoxy-6-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyrimidine;2-ethoxy-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyrimidine;2-(methoxymethyl)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;(2S)-3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;2-methyl-4-propan-2-ylpyrimidine;2-(oxan-4-yl)-4-propan-2-ylpyridine;4-propan-2-yl-2-propan-2-yloxypyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;(2R)-3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;4-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 158663659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).