2-(azetidin-1-yl)-6-tert-butylpyridine;tert-butylbenzene;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-cyclopropylpyridine;5-tert-butyl-2-ethoxypyrimidine;4-tert-butyl-1-ethylpyrazole;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methylpyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)benzene;3-tert-butyl-5-(trifluoromethyl)pyridine

C260H377ClF10N32O5 — CID 163888971

IUPAC2-(azetidin-1-yl)-6-tert-butylpyridine;tert-butylbenzene;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-cyclopropylpyridine;5-tert-butyl-2-ethoxypyrimidine;4-tert-butyl-1-ethylpyrazole;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methylpyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)benzene;3-tert-butyl-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc(N2CCC2)n1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc(N)nc1.CC(C)(C)c1cncc(C(F)(F)F)c1.CC(C)(C)c1cncc(C2CC2)c1.CC(C)(C)c1cncc(Cl)c1.CC(C)(C)c1cncc(F)c1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CCOc1ncc(C(C)(C)C)cn1.CCn1cc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nn1.Cc1ccnc(C(C)(C)C)c1.Cc1cnc(C(C)(C)C)cn1.Cc1cncc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C12H18N2.C12H17N.C11H13F3.C11H16O.C10H12F3N.2C10H13F.C10H16N2O.2C10H15NO.3C10H15N.C10H14.C9H12ClN.2C9H12FN.3C9H14N2.C9H16N2.C9H13NO.2C9H13N.C8H13N3.2C8H12N2/c1-12(2,3)10-6-4-7-11(13-10)14-8-5-9-14;1-12(2,3)11-6-10(7-13-8-11)9-4-5-9;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9(2,3)7-4-8(6-14-5-7)10(11,12)13;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-5-13-9-11-6-8(7-12-9)10(2,3)4;1-10(2,3)9-6-5-8(12-4)7-11-9;1-10(2,3)8-5-6-9(12-4)11-7-8;1-8-5-9(7-11-6-8)10(2,3)4;1-8-5-6-11-9(7-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)8-5-4-7(10)6-11-8;1-7-10-5-8(6-11-7)9(2,3)4;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-6-8(11-10-7)9(2,3)4;1-5-11-7-8(6-10-11)9(2,3)4;1-9(2,3)7-4-5-8(11)10-6-7;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-10-7(9)11-5-6;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7/h4,6-7H,5,8-9H2,1-3H3;6-9H,4-5H2,1-3H3;4-7H,1-3H3;5-8H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;6-7H,5H2,1-4H3;2*5-7H,1-4H3;3*5-7H,1-4H3;4-8H,1-3H3;3*4-6H,1-3H3;3*5-6H,1-4H3;6-7H,5H2,1-4H3;4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3;4-5H,1-3H3,(H2,9,10,11);2*4-6H,1-3H3
InChIKeyPZXFPZFCZBBRCQ-UHFFFAOYSA-N
MW4256.53 g/mol
LogP68.33
Rot. Bonds8

About 2-(azetidin-1-yl)-6-tert-butylpyridine;tert-butylbenzene;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-cyclopropylpyridine;5-tert-butyl-2-ethoxypyrimidine;4-tert-butyl-1-ethylpyrazole;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methylpyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)benzene;3-tert-butyl-5-(trifluoromethyl)pyridine

2-(azetidin-1-yl)-6-tert-butylpyridine;tert-butylbenzene;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-cyclopropylpyridine;5-tert-butyl-2-ethoxypyrimidine;4-tert-butyl-1-ethylpyrazole;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methylpyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)benzene;3-tert-butyl-5-(trifluoromethyl)pyridine (PubChem CID 163888971) has the molecular formula C260H377ClF10N32O5 and a molecular weight of 4256.53 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-6-tert-butylpyridine;tert-butylbenzene;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-cyclopropylpyridine;5-tert-butyl-2-ethoxypyrimidine;4-tert-butyl-1-ethylpyrazole;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methylpyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)benzene;3-tert-butyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-6-tert-butylpyridine;tert-butylbenzene;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-cyclopropylpyridine;5-tert-butyl-2-ethoxypyrimidine;4-tert-butyl-1-ethylpyrazole;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methylpyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)benzene;3-tert-butyl-5-(trifluoromethyl)pyridine
PubChem CID163888971
Molecular FormulaC260H377ClF10N32O5
Molecular Weight4256.53 g/mol
Exact Mass4252.98
IUPAC Name2-(azetidin-1-yl)-6-tert-butylpyridine;tert-butylbenzene;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-cyclopropylpyridine;5-tert-butyl-2-ethoxypyrimidine;4-tert-butyl-1-ethylpyrazole;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methylpyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)benzene;3-tert-butyl-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc(N2CCC2)n1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc(N)nc1.CC(C)(C)c1cncc(C(F)(F)F)c1.CC(C)(C)c1cncc(C2CC2)c1.CC(C)(C)c1cncc(Cl)c1.CC(C)(C)c1cncc(F)c1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CCOc1ncc(C(C)(C)C)cn1.CCn1cc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nn1.Cc1ccnc(C(C)(C)C)c1.Cc1cnc(C(C)(C)C)cn1.Cc1cncc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C12H18N2.C12H17N.C11H13F3.C11H16O.C10H12F3N.2C10H13F.C10H16N2O.2C10H15NO.3C10H15N.C10H14.C9H12ClN.2C9H12FN.3C9H14N2.C9H16N2.C9H13NO.2C9H13N.C8H13N3.2C8H12N2/c1-12(2,3)10-6-4-7-11(13-10)14-8-5-9-14;1-12(2,3)11-6-10(7-13-8-11)9-4-5-9;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9(2,3)7-4-8(6-14-5-7)10(11,12)13;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-5-13-9-11-6-8(7-12-9)10(2,3)4;1-10(2,3)9-6-5-8(12-4)7-11-9;1-10(2,3)8-5-6-9(12-4)11-7-8;1-8-5-9(7-11-6-8)10(2,3)4;1-8-5-6-11-9(7-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)8-5-4-7(10)6-11-8;1-7-10-5-8(6-11-7)9(2,3)4;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-6-8(11-10-7)9(2,3)4;1-5-11-7-8(6-10-11)9(2,3)4;1-9(2,3)7-4-5-8(11)10-6-7;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-10-7(9)11-5-6;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7/h4,6-7H,5,8-9H2,1-3H3;6-9H,4-5H2,1-3H3;4-7H,1-3H3;5-8H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;6-7H,5H2,1-4H3;2*5-7H,1-4H3;3*5-7H,1-4H3;4-8H,1-3H3;3*4-6H,1-3H3;3*5-6H,1-4H3;6-7H,5H2,1-4H3;4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3;4-5H,1-3H3,(H2,9,10,11);2*4-6H,1-3H3
InChIKeyPZXFPZFCZBBRCQ-UHFFFAOYSA-N
XLogP68.33
TPSA464.89 Ų
H-Bond Donors2
H-Bond Acceptors36
Rotatable Bonds8
Heavy Atoms308
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004256.53
LogP ≤ 568.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1036

Analyze 2-(azetidin-1-yl)-6-tert-butylpyridine;tert-butylbenzene;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-cyclopropylpyridine;5-tert-butyl-2-ethoxypyrimidine;4-tert-butyl-1-ethylpyrazole;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methylpyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)benzene;3-tert-butyl-5-(trifluoromethyl)pyridine with MolForge

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Related Compounds

4-[2-(1-aminopropan-2-ylamino)pyrimidin-4-yl]-1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(1H-inden-5-yl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-(3-methylphenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one
CID 157342880
4-[2-(1-aminopropan-2-ylamino)pyrimidin-4-yl]-1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-methyl-1H-inden-5-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-(3-methylphenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridin-2-one
CID 158025732
3-tert-butyl-3-azabicyclo[3.2.1]octane;tert-butyl 4-tert-butylpiperidine-1-carboxylate;2-tert-butyl-6-chloropyridine;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 158801840
3-tert-butylbicyclo[3.2.1]octane;tert-butyl 4-tert-butylpiperidine-1-carboxylate;2-tert-butyl-6-chloropyridine;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 161106729
2-(azetidin-1-yl)-6-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-cyclopropylpyridine;5-tert-butyl-2-ethoxypyrimidine;4-tert-butyl-1-ethylpyrazole;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methylpyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;3-tert-butyl-5-(trifluoromethyl)pyridine
CID 163958497
2-(azetidin-1-yl)-6-tert-butylpyridine;tert-butylbenzene;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-cyclopropylpyridine;5-tert-butyl-2-ethoxypyrimidine;4-tert-butyl-1-ethylpyrazole;1-tert-butyl-3-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methylpyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butylphenol;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)benzene;3-tert-butyl-5-(trifluoromethyl)pyridine
CID 164138950
1-chloro-3-methylbenzene;1,3-difluoro-5-methylbenzene;1-(difluoromethyl)-3-methylbenzene;N,N-dimethylacetamide;1,4-dimethylpiperazine;1,4-dimethylpyrazole;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzonitrile;4-methylbenzonitrile;methylcyclopropane;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1-propan-2-ylpiperidine;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;N-phenylacetamide;1-piperidin-1-ylethanone;toluene
CID 167668179

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-6-tert-butylpyridine;tert-butylbenzene;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-cyclopropylpyridine;5-tert-butyl-2-ethoxypyrimidine;4-tert-butyl-1-ethylpyrazole;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methylpyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)benzene;3-tert-butyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(azetidin-1-yl)-6-tert-butylpyridine;tert-butylbenzene;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-cyclopropylpyridine;5-tert-butyl-2-ethoxypyrimidine;4-tert-butyl-1-ethylpyrazole;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methylpyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)benzene;3-tert-butyl-5-(trifluoromethyl)pyridine (CID 163888971) is 2-(azetidin-1-yl)-6-tert-butylpyridine;tert-butylbenzene;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-cyclopropylpyridine;5-tert-butyl-2-ethoxypyrimidine;4-tert-butyl-1-ethylpyrazole;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methylpyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)benzene;3-tert-butyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(azetidin-1-yl)-6-tert-butylpyridine;tert-butylbenzene;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-cyclopropylpyridine;5-tert-butyl-2-ethoxypyrimidine;4-tert-butyl-1-ethylpyrazole;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methylpyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)benzene;3-tert-butyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(azetidin-1-yl)-6-tert-butylpyridine;tert-butylbenzene;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-cyclopropylpyridine;5-tert-butyl-2-ethoxypyrimidine;4-tert-butyl-1-ethylpyrazole;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methylpyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)benzene;3-tert-butyl-5-(trifluoromethyl)pyridine is CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc(N2CCC2)n1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc(N)nc1.CC(C)(C)c1cncc(C(F)(F)F)c1.CC(C)(C)c1cncc(C2CC2)c1.CC(C)(C)c1cncc(Cl)c1.CC(C)(C)c1cncc(F)c1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CCOc1ncc(C(C)(C)C)cn1.CCn1cc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nn1.Cc1ccnc(C(C)(C)C)c1.Cc1cnc(C(C)(C)C)cn1.Cc1cncc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)cn1.
What is the InChIKey of 2-(azetidin-1-yl)-6-tert-butylpyridine;tert-butylbenzene;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-cyclopropylpyridine;5-tert-butyl-2-ethoxypyrimidine;4-tert-butyl-1-ethylpyrazole;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methylpyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)benzene;3-tert-butyl-5-(trifluoromethyl)pyridine?
The InChIKey is PZXFPZFCZBBRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C12H17N.C11H13F3.C11H16O.C10H12F3N.2C10H13F.C10H16N2O.2C10H15NO.3C10H15N.C10H14.C9H12ClN.2C9H12FN.3C9H14N2.C9H16N2.C9H13NO.2C9H13N.C8H13N3.2C8H12N2/c1-12(2,3)10-6-4-7-11(13-10)14-8-5-9-14;1-12(2,3)11-6-10(7-13-8-11)9-4-5-9;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9(2,3)7-4-8(6-14-5-7)10(11,12)13;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-5-13-9-11-6-8(7-12-9)10(2,3)4;1-10(2,3)9-6-5-8(12-4)7-11-9;1-10(2,3)8-5-6-9(12-4)11-7-8;1-8-5-9(7-11-6-8)10(2,3)4;1-8-5-6-11-9(7-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)8-5-4-7(10)6-11-8;1-7-10-5-8(6-11-7)9(2,3)4;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-6-8(11-10-7)9(2,3)4;1-5-11-7-8(6-10-11)9(2,3)4;1-9(2,3)7-4-5-8(11)10-6-7;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-10-7(9)11-5-6;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7/h4,6-7H,5,8-9H2,1-3H3;6-9H,4-5H2,1-3H3;4-7H,1-3H3;5-8H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;6-7H,5H2,1-4H3;2*5-7H,1-4H3;3*5-7H,1-4H3;4-8H,1-3H3;3*4-6H,1-3H3;3*5-6H,1-4H3;6-7H,5H2,1-4H3;4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3;4-5H,1-3H3,(H2,9,10,11);2*4-6H,1-3H3.
What are the key properties of 2-(azetidin-1-yl)-6-tert-butylpyridine;tert-butylbenzene;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-cyclopropylpyridine;5-tert-butyl-2-ethoxypyrimidine;4-tert-butyl-1-ethylpyrazole;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methylpyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)benzene;3-tert-butyl-5-(trifluoromethyl)pyridine?
2-(azetidin-1-yl)-6-tert-butylpyridine;tert-butylbenzene;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-cyclopropylpyridine;5-tert-butyl-2-ethoxypyrimidine;4-tert-butyl-1-ethylpyrazole;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methylpyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)benzene;3-tert-butyl-5-(trifluoromethyl)pyridine has a molecular weight of 4256.53 g/mol, XLogP of 68.33, 8 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-6-tert-butylpyridine;tert-butylbenzene;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-cyclopropylpyridine;5-tert-butyl-2-ethoxypyrimidine;4-tert-butyl-1-ethylpyrazole;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methylpyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyrimidine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)benzene;3-tert-butyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 163888971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).