2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-4-propan-2-ylpyrimidine);1-(4-propan-2-ylphenyl)pyrrolidin-2-one;1-propan-2-yl-4-propan-2-ylsulfonylbenzene

C161H230F5N17O9S — CID 159531813

IUPAC2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-4-propan-2-ylpyrimidine);1-(4-propan-2-ylphenyl)pyrrolidin-2-one;1-propan-2-yl-4-propan-2-ylsulfonylbenzene
SMILESCC(C)c1ccc(F)c(N2CCOC2=O)c1.CC(C)c1ccc(F)c(NCCO)c1.CC(C)c1ccc(F)c(OCCO)c1.CC(C)c1ccc(N2CCCC2=O)cc1.CC(C)c1ccc(S(=O)(=O)C(C)C)cc1.CC(C)c1ccn(C)n1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(C2CC2)n1.CCc1nccc(C(C)C)n1.COCc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccc1F.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1nccc(C(C)C)n1.Cc1nccc(C(C)C)n1.Cc1nccc(C(C)C)n1
InChIInChI=1S/C13H17NO.C12H14FNO2.C12H19N.C12H18O2S.C11H16FNO.C11H15FO2.2C10H13F.C10H14N2.C10H15NO.C10H14.C9H14N2.3C8H12N2.C7H12N2/c1-10(2)11-5-7-12(8-6-11)14-9-3-4-13(14)15;1-8(2)9-3-4-10(13)11(7-9)14-5-6-16-12(14)15;1-9(2)10-6-7-13-11(8-10)12(3,4)5;1-9(2)11-5-7-12(8-6-11)15(13,14)10(3)4;1-8(2)9-3-4-10(12)11(7-9)13-5-6-14;1-8(2)9-3-4-10(12)11(7-9)14-6-5-13;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-6-11-10(12-9)8-3-4-8;1-8(2)9-4-5-11-10(6-9)7-12-3;1-8(2)10-6-4-9(3)5-7-10;1-4-9-10-6-5-8(11-9)7(2)3;3*1-6(2)8-4-5-9-7(3)10-8;1-6(2)7-4-5-9(3)8-7/h5-8,10H,3-4,9H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;6-9H,1-5H3;5-10H,1-4H3;3-4,7-8,13-14H,5-6H2,1-2H3;3-4,7-8,13H,5-6H2,1-2H3;2*4-7H,1-3H3;5-8H,3-4H2,1-2H3;4-6,8H,7H2,1-3H3;4-8H,1-3H3;5-7H,4H2,1-3H3;3*4-6H,1-3H3;4-6H,1-3H3
InChIKeyMDCATUBANAFTBM-UHFFFAOYSA-N
MW2674.78 g/mol
LogP40.90
Rot. Bonds30

About 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-4-propan-2-ylpyrimidine);1-(4-propan-2-ylphenyl)pyrrolidin-2-one;1-propan-2-yl-4-propan-2-ylsulfonylbenzene

2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-4-propan-2-ylpyrimidine);1-(4-propan-2-ylphenyl)pyrrolidin-2-one;1-propan-2-yl-4-propan-2-ylsulfonylbenzene (PubChem CID 159531813) has the molecular formula C161H230F5N17O9S and a molecular weight of 2674.78 g/mol. Its IUPAC name is 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-4-propan-2-ylpyrimidine);1-(4-propan-2-ylphenyl)pyrrolidin-2-one;1-propan-2-yl-4-propan-2-ylsulfonylbenzene.

Molecular Properties

Compound Name2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-4-propan-2-ylpyrimidine);1-(4-propan-2-ylphenyl)pyrrolidin-2-one;1-propan-2-yl-4-propan-2-ylsulfonylbenzene
PubChem CID159531813
Molecular FormulaC161H230F5N17O9S
Molecular Weight2674.78 g/mol
Exact Mass2672.77
IUPAC Name2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-4-propan-2-ylpyrimidine);1-(4-propan-2-ylphenyl)pyrrolidin-2-one;1-propan-2-yl-4-propan-2-ylsulfonylbenzene
SMILESCC(C)c1ccc(F)c(N2CCOC2=O)c1.CC(C)c1ccc(F)c(NCCO)c1.CC(C)c1ccc(F)c(OCCO)c1.CC(C)c1ccc(N2CCCC2=O)cc1.CC(C)c1ccc(S(=O)(=O)C(C)C)cc1.CC(C)c1ccn(C)n1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(C2CC2)n1.CCc1nccc(C(C)C)n1.COCc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccc1F.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1nccc(C(C)C)n1.Cc1nccc(C(C)C)n1.Cc1nccc(C(C)C)n1
InChIInChI=1S/C13H17NO.C12H14FNO2.C12H19N.C12H18O2S.C11H16FNO.C11H15FO2.2C10H13F.C10H14N2.C10H15NO.C10H14.C9H14N2.3C8H12N2.C7H12N2/c1-10(2)11-5-7-12(8-6-11)14-9-3-4-13(14)15;1-8(2)9-3-4-10(13)11(7-9)14-5-6-16-12(14)15;1-9(2)10-6-7-13-11(8-10)12(3,4)5;1-9(2)11-5-7-12(8-6-11)15(13,14)10(3)4;1-8(2)9-3-4-10(12)11(7-9)13-5-6-14;1-8(2)9-3-4-10(12)11(7-9)14-6-5-13;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-6-11-10(12-9)8-3-4-8;1-8(2)9-4-5-11-10(6-9)7-12-3;1-8(2)10-6-4-9(3)5-7-10;1-4-9-10-6-5-8(11-9)7(2)3;3*1-6(2)8-4-5-9-7(3)10-8;1-6(2)7-4-5-9(3)8-7/h5-8,10H,3-4,9H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;6-9H,1-5H3;5-10H,1-4H3;3-4,7-8,13-14H,5-6H2,1-2H3;3-4,7-8,13H,5-6H2,1-2H3;2*4-7H,1-3H3;5-8H,3-4H2,1-2H3;4-6,8H,7H2,1-3H3;4-8H,1-3H3;5-7H,4H2,1-3H3;3*4-6H,1-3H3;4-6H,1-3H3
InChIKeyMDCATUBANAFTBM-UHFFFAOYSA-N
XLogP40.90
TPSA327.44 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002674.78
LogP ≤ 540.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-4-propan-2-ylpyrimidine);1-(4-propan-2-ylphenyl)pyrrolidin-2-one;1-propan-2-yl-4-propan-2-ylsulfonylbenzene with MolForge

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Related Compounds

1-[4-[2-[3-[2-Hydroxy-3-(methylamino)propoxy]phenyl]-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-yl]butyl]pyrrolidin-2-one;1-[3-[4-(2-methoxy-4-pyridinyl)-6-pentylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-(4-methylsulfonylphenyl)-6-pentylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-pentyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenoxy]propan-2-ol
CID 157433162
CID 159657127
CID 159657127
6-N-(cyclohexylmethyl)-5-fluoro-4-N-methyl-4-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidine-4,6-diamine;N-cyclopropyl-5-fluoro-6-[3-[4-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]propyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;2-[4-[[[6-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;5-fluoro-4-N-methyl-6-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-4-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidine-4,6-diamine;5-fluoro-N-methyl-6-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine;1,1,1-trifluoro-N-[4-[[[5-fluoro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide
CID 159900054
1-[4-[[[6-[(2,4-dimethylphenyl)methyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]propan-2-one;2-[4-[[[6-[(4-ethyl-2-methoxyphenyl)methyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;5-fluoro-4-N-methyl-6-N-[(4-methylsulfonylphenyl)methyl]-4-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-4,6-diamine;4-[[[5-fluoro-6-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]amino]methyl]benzenesulfonamide;4-[[[5-fluoro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-ol;4-[2-[5-fluoro-6-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]ethyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 158622875
2-(4-tert-butylphenoxy)ethanol;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)imidazole;4-[(4-tert-butylphenyl)methyl]morpholine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperazine;4-(4-tert-butylphenyl)sulfonylpiperidine;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 158881701
2-Tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-2-methylidene-1,3-oxazolidine;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);tris(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
CID 159098555

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-4-propan-2-ylpyrimidine);1-(4-propan-2-ylphenyl)pyrrolidin-2-one;1-propan-2-yl-4-propan-2-ylsulfonylbenzene?
The IUPAC name of 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-4-propan-2-ylpyrimidine);1-(4-propan-2-ylphenyl)pyrrolidin-2-one;1-propan-2-yl-4-propan-2-ylsulfonylbenzene (CID 159531813) is 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-4-propan-2-ylpyrimidine);1-(4-propan-2-ylphenyl)pyrrolidin-2-one;1-propan-2-yl-4-propan-2-ylsulfonylbenzene.
What is the SMILES notation for 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-4-propan-2-ylpyrimidine);1-(4-propan-2-ylphenyl)pyrrolidin-2-one;1-propan-2-yl-4-propan-2-ylsulfonylbenzene?
The canonical SMILES for 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-4-propan-2-ylpyrimidine);1-(4-propan-2-ylphenyl)pyrrolidin-2-one;1-propan-2-yl-4-propan-2-ylsulfonylbenzene is CC(C)c1ccc(F)c(N2CCOC2=O)c1.CC(C)c1ccc(F)c(NCCO)c1.CC(C)c1ccc(F)c(OCCO)c1.CC(C)c1ccc(N2CCCC2=O)cc1.CC(C)c1ccc(S(=O)(=O)C(C)C)cc1.CC(C)c1ccn(C)n1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(C2CC2)n1.CCc1nccc(C(C)C)n1.COCc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccc1F.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1nccc(C(C)C)n1.Cc1nccc(C(C)C)n1.Cc1nccc(C(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-4-propan-2-ylpyrimidine);1-(4-propan-2-ylphenyl)pyrrolidin-2-one;1-propan-2-yl-4-propan-2-ylsulfonylbenzene?
The InChIKey is MDCATUBANAFTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C12H14FNO2.C12H19N.C12H18O2S.C11H16FNO.C11H15FO2.2C10H13F.C10H14N2.C10H15NO.C10H14.C9H14N2.3C8H12N2.C7H12N2/c1-10(2)11-5-7-12(8-6-11)14-9-3-4-13(14)15;1-8(2)9-3-4-10(13)11(7-9)14-5-6-16-12(14)15;1-9(2)10-6-7-13-11(8-10)12(3,4)5;1-9(2)11-5-7-12(8-6-11)15(13,14)10(3)4;1-8(2)9-3-4-10(12)11(7-9)13-5-6-14;1-8(2)9-3-4-10(12)11(7-9)14-6-5-13;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-6-11-10(12-9)8-3-4-8;1-8(2)9-4-5-11-10(6-9)7-12-3;1-8(2)10-6-4-9(3)5-7-10;1-4-9-10-6-5-8(11-9)7(2)3;3*1-6(2)8-4-5-9-7(3)10-8;1-6(2)7-4-5-9(3)8-7/h5-8,10H,3-4,9H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;6-9H,1-5H3;5-10H,1-4H3;3-4,7-8,13-14H,5-6H2,1-2H3;3-4,7-8,13H,5-6H2,1-2H3;2*4-7H,1-3H3;5-8H,3-4H2,1-2H3;4-6,8H,7H2,1-3H3;4-8H,1-3H3;5-7H,4H2,1-3H3;3*4-6H,1-3H3;4-6H,1-3H3.
What are the key properties of 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-4-propan-2-ylpyrimidine);1-(4-propan-2-ylphenyl)pyrrolidin-2-one;1-propan-2-yl-4-propan-2-ylsulfonylbenzene?
2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-4-propan-2-ylpyrimidine);1-(4-propan-2-ylphenyl)pyrrolidin-2-one;1-propan-2-yl-4-propan-2-ylsulfonylbenzene has a molecular weight of 2674.78 g/mol, XLogP of 40.90, 30 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-4-propan-2-ylpyrimidine);1-(4-propan-2-ylphenyl)pyrrolidin-2-one;1-propan-2-yl-4-propan-2-ylsulfonylbenzene is sourced from PubChem (CID 159531813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).