1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-cyclopropylpiperidine;2-tert-butyl-3,4-dihydro-1H-2,6-naphthyridine;4-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,6-dimethylpyrimidine;6-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;4,4-difluoro-1-propan-2-ylpiperidine;4-(3,3-dimethylbutyl)pyridine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-2-pyrrolidin-1-ylpyridine;N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;1,4-di(propan-2-yl)piperazine;2-methylpropane;4-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-ylmorpholine

C228H370ClF5N28O3 — CID 158064879

IUPAC1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-cyclopropylpiperidine;2-tert-butyl-3,4-dihydro-1H-2,6-naphthyridine;4-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,6-dimethylpyrimidine;6-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;4,4-difluoro-1-propan-2-ylpiperidine;4-(3,3-dimethylbutyl)pyridine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-2-pyrrolidin-1-ylpyridine;N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;1,4-di(propan-2-yl)piperazine;2-methylpropane;4-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-ylmorpholine
SMILESCC(C)(C)C1CCN(C2CC2)CC1.CC(C)(C)CCc1ccncc1.CC(C)(C)Cc1ccnc(N2CCCC2)c1.CC(C)(C)Cc1ccncc1.CC(C)(C)N1CCc2cnccc2C1.CC(C)(C)Oc1ccncc1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)C.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCOCC1.CN(C)c1ncc2c(n1)CCNC2.CN1CCC(C(C)(C)C)CC1.COc1ccc(C(C)(C)C)cc1.Cc1cc(C(C)(C)C)cc(C)n1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)nc(C)n1
InChIInChI=1S/C14H22N2.C13H15N.C12H18N2.C12H23N.2C11H17N.C11H16O.C10H13Cl.C10H12F3N.2C10H22N2.C10H16N2.C10H21N.2C10H15N.C9H14N4.C9H13NO.3C9H13N.C8H15F2N.C7H15NO.C4H10/c1-14(2,3)11-12-6-7-15-13(10-12)16-8-4-5-9-16;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-12(2,3)14-7-5-10-8-13-6-4-11(10)9-14;1-12(2,3)10-6-8-13(9-7-10)11-4-5-11;1-8-6-10(11(3,4)5)7-9(2)12-8;1-11(2,3)7-4-10-5-8-12-9-6-10;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)8-4-6-9(11)7-5-8;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-9(2)12-7-5-10(6-8-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7-6-9(10(3,4)5)12-8(2)11-7;1-10(2,3)9-5-7-11(4)8-6-9;1-8-7-9(5-6-11-8)10(2,3)4;1-10(2,3)8-9-4-6-11-7-5-9;1-13(2)9-11-6-7-5-10-4-3-8(7)12-9;1-9(2,3)11-8-4-6-10-7-5-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)8-3-5-9-6-4-8;1-4(2)3/h6-7,10H,4-5,8-9,11H2,1-3H3;4-9H,1-3H3;4,6,8H,5,7,9H2,1-3H3;10-11H,4-9H2,1-3H3;6-7H,1-5H3;5-6,8-9H,4,7H2,1-3H3;5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;2*9-10H,5-8H2,1-4H3;6H,1-5H3;9H,5-8H2,1-4H3;5-7H,1-4H3;4-7H,8H2,1-3H3;6,10H,3-5H2,1-2H3;4-7H,1-3H3;3*4-7H,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4H,1-3H3
InChIKeyFLCGYCQRRRETGG-UHFFFAOYSA-N
MW3682.10 g/mol
LogP55.10
Rot. Bonds15

About 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-cyclopropylpiperidine;2-tert-butyl-3,4-dihydro-1H-2,6-naphthyridine;4-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,6-dimethylpyrimidine;6-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;4,4-difluoro-1-propan-2-ylpiperidine;4-(3,3-dimethylbutyl)pyridine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-2-pyrrolidin-1-ylpyridine;N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;1,4-di(propan-2-yl)piperazine;2-methylpropane;4-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-ylmorpholine

1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-cyclopropylpiperidine;2-tert-butyl-3,4-dihydro-1H-2,6-naphthyridine;4-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,6-dimethylpyrimidine;6-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;4,4-difluoro-1-propan-2-ylpiperidine;4-(3,3-dimethylbutyl)pyridine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-2-pyrrolidin-1-ylpyridine;N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;1,4-di(propan-2-yl)piperazine;2-methylpropane;4-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-ylmorpholine (PubChem CID 158064879) has the molecular formula C228H370ClF5N28O3 and a molecular weight of 3682.10 g/mol. Its IUPAC name is 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-cyclopropylpiperidine;2-tert-butyl-3,4-dihydro-1H-2,6-naphthyridine;4-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,6-dimethylpyrimidine;6-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;4,4-difluoro-1-propan-2-ylpiperidine;4-(3,3-dimethylbutyl)pyridine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-2-pyrrolidin-1-ylpyridine;N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;1,4-di(propan-2-yl)piperazine;2-methylpropane;4-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-ylmorpholine.

Molecular Properties

Compound Name1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-cyclopropylpiperidine;2-tert-butyl-3,4-dihydro-1H-2,6-naphthyridine;4-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,6-dimethylpyrimidine;6-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;4,4-difluoro-1-propan-2-ylpiperidine;4-(3,3-dimethylbutyl)pyridine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-2-pyrrolidin-1-ylpyridine;N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;1,4-di(propan-2-yl)piperazine;2-methylpropane;4-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-ylmorpholine
PubChem CID158064879
Molecular FormulaC228H370ClF5N28O3
Molecular Weight3682.10 g/mol
Exact Mass3678.93
IUPAC Name1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-cyclopropylpiperidine;2-tert-butyl-3,4-dihydro-1H-2,6-naphthyridine;4-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,6-dimethylpyrimidine;6-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;4,4-difluoro-1-propan-2-ylpiperidine;4-(3,3-dimethylbutyl)pyridine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-2-pyrrolidin-1-ylpyridine;N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;1,4-di(propan-2-yl)piperazine;2-methylpropane;4-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-ylmorpholine
SMILESCC(C)(C)C1CCN(C2CC2)CC1.CC(C)(C)CCc1ccncc1.CC(C)(C)Cc1ccnc(N2CCCC2)c1.CC(C)(C)Cc1ccncc1.CC(C)(C)N1CCc2cnccc2C1.CC(C)(C)Oc1ccncc1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)C.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCOCC1.CN(C)c1ncc2c(n1)CCNC2.CN1CCC(C(C)(C)C)CC1.COc1ccc(C(C)(C)C)cc1.Cc1cc(C(C)(C)C)cc(C)n1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)nc(C)n1
InChIInChI=1S/C14H22N2.C13H15N.C12H18N2.C12H23N.2C11H17N.C11H16O.C10H13Cl.C10H12F3N.2C10H22N2.C10H16N2.C10H21N.2C10H15N.C9H14N4.C9H13NO.3C9H13N.C8H15F2N.C7H15NO.C4H10/c1-14(2,3)11-12-6-7-15-13(10-12)16-8-4-5-9-16;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-12(2,3)14-7-5-10-8-13-6-4-11(10)9-14;1-12(2,3)10-6-8-13(9-7-10)11-4-5-11;1-8-6-10(11(3,4)5)7-9(2)12-8;1-11(2,3)7-4-10-5-8-12-9-6-10;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)8-4-6-9(11)7-5-8;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-9(2)12-7-5-10(6-8-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7-6-9(10(3,4)5)12-8(2)11-7;1-10(2,3)9-5-7-11(4)8-6-9;1-8-7-9(5-6-11-8)10(2,3)4;1-10(2,3)8-9-4-6-11-7-5-9;1-13(2)9-11-6-7-5-10-4-3-8(7)12-9;1-9(2,3)11-8-4-6-10-7-5-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)8-3-5-9-6-4-8;1-4(2)3/h6-7,10H,4-5,8-9,11H2,1-3H3;4-9H,1-3H3;4,6,8H,5,7,9H2,1-3H3;10-11H,4-9H2,1-3H3;6-7H,1-5H3;5-6,8-9H,4,7H2,1-3H3;5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;2*9-10H,5-8H2,1-4H3;6H,1-5H3;9H,5-8H2,1-4H3;5-7H,1-4H3;4-7H,8H2,1-3H3;6,10H,3-5H2,1-2H3;4-7H,1-3H3;3*4-7H,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4H,1-3H3
InChIKeyFLCGYCQRRRETGG-UHFFFAOYSA-N
XLogP55.10
TPSA281.60 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds15
Heavy Atoms265
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003682.10
LogP ≤ 555.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Analyze 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-cyclopropylpiperidine;2-tert-butyl-3,4-dihydro-1H-2,6-naphthyridine;4-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,6-dimethylpyrimidine;6-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;4,4-difluoro-1-propan-2-ylpiperidine;4-(3,3-dimethylbutyl)pyridine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-2-pyrrolidin-1-ylpyridine;N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;1,4-di(propan-2-yl)piperazine;2-methylpropane;4-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-ylmorpholine with MolForge

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Related Compounds

4-[2-(1-chloro-6-methylisoquinolin-5-yl)oxypyridin-3-yl]-N-methylpyrimidin-2-amine;6-methyl-5-[3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl]oxy-N-[3-(trifluoromethoxy)phenyl]isoquinolin-1-amine
CID 157059233
N-(3-chloro-4-fluorophenyl)-6-methyl-5-[[3-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)-2-pyridinyl]methyl]isoquinolin-1-amine;N-[4-fluoro-3-(trifluoromethoxy)phenyl]-6-methyl-5-[[3-[9-(oxan-2-yl)purin-6-yl]-2-pyridinyl]methyl]isoquinolin-1-amine
CID 157150736
7-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 157416471
1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-cyclopropylpiperidine;4-tert-butyl-N,N-dimethylpyridin-2-amine;4-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,6-dimethylpyrimidine;6-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;4-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2-pyrrolidin-1-ylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;4-(3,3-dimethylbutyl)pyridine;4-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-2-pyrrolidin-1-ylpyridine
CID 157886417
7-(3-chloro-2-pyridinyl)-2-(cyclopropyloxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(phenoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(propan-2-yloxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 157959952
Tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline
CID 159614604
2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-(4-fluoro-2-methylphenyl)-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-[2-methyl-5-(trifluoromethyl)phenyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-(8-methoxyisoquinolin-5-yl)-1,8-naphthyridine
CID 160222233
7-Chloro-4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2,8-bis(trifluoromethyl)quinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methylquinolin-2-amine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methylquinoline);4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinazoline
CID 160773205
2-butoxy-6-tert-butylnaphthalene;4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;2-(6-tert-butylnaphthalen-2-yl)oxyethanamine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;4-[3-(4-tert-butylphenoxy)propyl]morpholine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 161061861
4-methanimidoyl-N-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-2-[2-(trifluoromethyl)phenyl]pyrimidin-5-amine;2-(2-propan-2-ylphenyl)-4-[(1-pyridin-3-ylpiperidin-4-yl)methoxy]pyrido[2,3-d]pyrimidine
CID 172584585
4-[2-(1-chloro-6-methylisoquinolin-5-yl)oxypyridin-3-yl]-1-methyl-2H-pyrimidin-2-amine;6-methyl-5-[3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl]oxy-N-[3-(trifluoromethoxy)phenyl]isoquinolin-1-amine
CID 161151808
4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[5-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylpyridin-4-amine
CID 157159248

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-cyclopropylpiperidine;2-tert-butyl-3,4-dihydro-1H-2,6-naphthyridine;4-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,6-dimethylpyrimidine;6-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;4,4-difluoro-1-propan-2-ylpiperidine;4-(3,3-dimethylbutyl)pyridine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-2-pyrrolidin-1-ylpyridine;N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;1,4-di(propan-2-yl)piperazine;2-methylpropane;4-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-ylmorpholine?
The IUPAC name of 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-cyclopropylpiperidine;2-tert-butyl-3,4-dihydro-1H-2,6-naphthyridine;4-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,6-dimethylpyrimidine;6-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;4,4-difluoro-1-propan-2-ylpiperidine;4-(3,3-dimethylbutyl)pyridine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-2-pyrrolidin-1-ylpyridine;N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;1,4-di(propan-2-yl)piperazine;2-methylpropane;4-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-ylmorpholine (CID 158064879) is 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-cyclopropylpiperidine;2-tert-butyl-3,4-dihydro-1H-2,6-naphthyridine;4-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,6-dimethylpyrimidine;6-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;4,4-difluoro-1-propan-2-ylpiperidine;4-(3,3-dimethylbutyl)pyridine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-2-pyrrolidin-1-ylpyridine;N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;1,4-di(propan-2-yl)piperazine;2-methylpropane;4-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-ylmorpholine.
What is the SMILES notation for 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-cyclopropylpiperidine;2-tert-butyl-3,4-dihydro-1H-2,6-naphthyridine;4-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,6-dimethylpyrimidine;6-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;4,4-difluoro-1-propan-2-ylpiperidine;4-(3,3-dimethylbutyl)pyridine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-2-pyrrolidin-1-ylpyridine;N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;1,4-di(propan-2-yl)piperazine;2-methylpropane;4-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-ylmorpholine?
The canonical SMILES for 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-cyclopropylpiperidine;2-tert-butyl-3,4-dihydro-1H-2,6-naphthyridine;4-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,6-dimethylpyrimidine;6-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;4,4-difluoro-1-propan-2-ylpiperidine;4-(3,3-dimethylbutyl)pyridine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-2-pyrrolidin-1-ylpyridine;N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;1,4-di(propan-2-yl)piperazine;2-methylpropane;4-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-ylmorpholine is CC(C)(C)C1CCN(C2CC2)CC1.CC(C)(C)CCc1ccncc1.CC(C)(C)Cc1ccnc(N2CCCC2)c1.CC(C)(C)Cc1ccncc1.CC(C)(C)N1CCc2cnccc2C1.CC(C)(C)Oc1ccncc1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)C.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCOCC1.CN(C)c1ncc2c(n1)CCNC2.CN1CCC(C(C)(C)C)CC1.COc1ccc(C(C)(C)C)cc1.Cc1cc(C(C)(C)C)cc(C)n1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)nc(C)n1.
What is the InChIKey of 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-cyclopropylpiperidine;2-tert-butyl-3,4-dihydro-1H-2,6-naphthyridine;4-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,6-dimethylpyrimidine;6-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;4,4-difluoro-1-propan-2-ylpiperidine;4-(3,3-dimethylbutyl)pyridine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-2-pyrrolidin-1-ylpyridine;N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;1,4-di(propan-2-yl)piperazine;2-methylpropane;4-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-ylmorpholine?
The InChIKey is FLCGYCQRRRETGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C13H15N.C12H18N2.C12H23N.2C11H17N.C11H16O.C10H13Cl.C10H12F3N.2C10H22N2.C10H16N2.C10H21N.2C10H15N.C9H14N4.C9H13NO.3C9H13N.C8H15F2N.C7H15NO.C4H10/c1-14(2,3)11-12-6-7-15-13(10-12)16-8-4-5-9-16;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-12(2,3)14-7-5-10-8-13-6-4-11(10)9-14;1-12(2,3)10-6-8-13(9-7-10)11-4-5-11;1-8-6-10(11(3,4)5)7-9(2)12-8;1-11(2,3)7-4-10-5-8-12-9-6-10;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)8-4-6-9(11)7-5-8;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-9(2)12-7-5-10(6-8-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7-6-9(10(3,4)5)12-8(2)11-7;1-10(2,3)9-5-7-11(4)8-6-9;1-8-7-9(5-6-11-8)10(2,3)4;1-10(2,3)8-9-4-6-11-7-5-9;1-13(2)9-11-6-7-5-10-4-3-8(7)12-9;1-9(2,3)11-8-4-6-10-7-5-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)8-3-5-9-6-4-8;1-4(2)3/h6-7,10H,4-5,8-9,11H2,1-3H3;4-9H,1-3H3;4,6,8H,5,7,9H2,1-3H3;10-11H,4-9H2,1-3H3;6-7H,1-5H3;5-6,8-9H,4,7H2,1-3H3;5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;2*9-10H,5-8H2,1-4H3;6H,1-5H3;9H,5-8H2,1-4H3;5-7H,1-4H3;4-7H,8H2,1-3H3;6,10H,3-5H2,1-2H3;4-7H,1-3H3;3*4-7H,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4H,1-3H3.
What are the key properties of 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-cyclopropylpiperidine;2-tert-butyl-3,4-dihydro-1H-2,6-naphthyridine;4-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,6-dimethylpyrimidine;6-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;4,4-difluoro-1-propan-2-ylpiperidine;4-(3,3-dimethylbutyl)pyridine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-2-pyrrolidin-1-ylpyridine;N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;1,4-di(propan-2-yl)piperazine;2-methylpropane;4-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-ylmorpholine?
1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-cyclopropylpiperidine;2-tert-butyl-3,4-dihydro-1H-2,6-naphthyridine;4-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,6-dimethylpyrimidine;6-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;4,4-difluoro-1-propan-2-ylpiperidine;4-(3,3-dimethylbutyl)pyridine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-2-pyrrolidin-1-ylpyridine;N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;1,4-di(propan-2-yl)piperazine;2-methylpropane;4-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-ylmorpholine has a molecular weight of 3682.10 g/mol, XLogP of 55.10, 15 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-cyclopropylpiperidine;2-tert-butyl-3,4-dihydro-1H-2,6-naphthyridine;4-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,6-dimethylpyrimidine;6-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;4,4-difluoro-1-propan-2-ylpiperidine;4-(3,3-dimethylbutyl)pyridine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-2-pyrrolidin-1-ylpyridine;N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;1,4-di(propan-2-yl)piperazine;2-methylpropane;4-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-ylmorpholine is sourced from PubChem (CID 158064879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).