4-tert-butyl-2-phenyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;6-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinoline;7-fluoro-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylquinoline;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-ylquinoline

C217H284F11N31O3S — CID 161201178

IUPAC4-tert-butyl-2-phenyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;6-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinoline;7-fluoro-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylquinoline;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-ylquinoline
SMILESCC(C)c1cc(C(C)(C)C)nc(-c2ccccc2)n1.CC(C)c1cc(N(C)C)ncn1.CC(C)c1cc(N2CCC(F)(F)CC2)ncn1.CC(C)c1cc(N2CCOCC2)ncn1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1ccnc(C(F)F)c1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccnc2cc(F)ccc12.CC(C)c1ccnc2cccc(F)c12.CC(C)c1ccnc2ccccc12.CC(C)c1ccncc1.CC(C)c1ncnc2c(F)cccc12.CC(C)c1ncnc2ccc(F)cc12.CCCS(=O)(=O)c1cc(C(C)C)ccn1.Cc1ccc2c(C(C)C)ccnc2c1.Cc1ccc2nccc(C(C)C)c2c1.Cc1nc(C(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C17H22N2.2C13H15N.C12H17F2N3.2C12H12FN.C12H18N2.C12H13N.2C12H19N.2C11H11FN2.C11H17N3O.C11H18N2.C11H17NO2S.C9H11F3N2.C9H11F2N.C9H15N3.C8H11N/c1-12(2)14-11-15(17(3,4)5)19-16(18-14)13-9-7-6-8-10-13;1-9(2)11-6-7-14-13-5-4-10(3)8-12(11)13;1-9(2)11-6-7-14-13-8-10(3)4-5-12(11)13;1-9(2)10-7-11(16-8-15-10)17-5-3-12(13,14)4-6-17;1-8(2)10-5-6-14-12-7-9(13)3-4-11(10)12;1-8(2)9-6-7-14-11-5-3-4-10(13)12(9)11;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)10-6-7-13-11(8-10)12(3,4)5;1-9(2)10-7-6-8-11(13-10)12(3,4)5;1-7(2)11-9-5-8(12)3-4-10(9)13-6-14-11;1-7(2)10-8-4-3-5-9(12)11(8)14-6-13-10;1-9(2)10-7-11(13-8-12-10)14-3-5-15-6-4-14;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-4-7-15(13,14)11-8-10(9(2)3)5-6-12-11;1-5(2)7-4-8(9(10,11)12)14-6(3)13-7;1-6(2)7-3-4-12-8(5-7)9(10)11;1-7(2)8-5-9(12(3)4)11-6-10-8;1-7(2)8-3-5-9-6-4-8/h6-12H,1-5H3;2*4-9H,1-3H3;7-9H,3-6H2,1-2H3;2*3-8H,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-9H,1-2H3;2*6-9H,1-5H3;2*3-7H,1-2H3;7-9H,3-6H2,1-2H3;6-8H,1-5H3;5-6,8-9H,4,7H2,1-3H3;4-5H,1-3H3;3-6,9H,1-2H3;5-7H,1-4H3;3-7H,1-2H3
InChIKeyUUZNZMRDNSYODH-UHFFFAOYSA-N
MW3615.92 g/mol
LogP57.34
Rot. Bonds28

About 4-tert-butyl-2-phenyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;6-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinoline;7-fluoro-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylquinoline;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-ylquinoline

4-tert-butyl-2-phenyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;6-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinoline;7-fluoro-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylquinoline;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-ylquinoline (PubChem CID 161201178) has the molecular formula C217H284F11N31O3S and a molecular weight of 3615.92 g/mol. Its IUPAC name is 4-tert-butyl-2-phenyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;6-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinoline;7-fluoro-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylquinoline;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-ylquinoline.

Molecular Properties

Compound Name4-tert-butyl-2-phenyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;6-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinoline;7-fluoro-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylquinoline;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-ylquinoline
PubChem CID161201178
Molecular FormulaC217H284F11N31O3S
Molecular Weight3615.92 g/mol
Exact Mass3613.26
IUPAC Name4-tert-butyl-2-phenyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;6-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinoline;7-fluoro-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylquinoline;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-ylquinoline
SMILESCC(C)c1cc(C(C)(C)C)nc(-c2ccccc2)n1.CC(C)c1cc(N(C)C)ncn1.CC(C)c1cc(N2CCC(F)(F)CC2)ncn1.CC(C)c1cc(N2CCOCC2)ncn1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1ccnc(C(F)F)c1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccnc2cc(F)ccc12.CC(C)c1ccnc2cccc(F)c12.CC(C)c1ccnc2ccccc12.CC(C)c1ccncc1.CC(C)c1ncnc2c(F)cccc12.CC(C)c1ncnc2ccc(F)cc12.CCCS(=O)(=O)c1cc(C(C)C)ccn1.Cc1ccc2c(C(C)C)ccnc2c1.Cc1ccc2nccc(C(C)C)c2c1.Cc1nc(C(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C17H22N2.2C13H15N.C12H17F2N3.2C12H12FN.C12H18N2.C12H13N.2C12H19N.2C11H11FN2.C11H17N3O.C11H18N2.C11H17NO2S.C9H11F3N2.C9H11F2N.C9H15N3.C8H11N/c1-12(2)14-11-15(17(3,4)5)19-16(18-14)13-9-7-6-8-10-13;1-9(2)11-6-7-14-13-5-4-10(3)8-12(11)13;1-9(2)11-6-7-14-13-8-10(3)4-5-12(11)13;1-9(2)10-7-11(16-8-15-10)17-5-3-12(13,14)4-6-17;1-8(2)10-5-6-14-12-7-9(13)3-4-11(10)12;1-8(2)9-6-7-14-11-5-3-4-10(13)12(9)11;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)10-6-7-13-11(8-10)12(3,4)5;1-9(2)10-7-6-8-11(13-10)12(3,4)5;1-7(2)11-9-5-8(12)3-4-10(9)13-6-14-11;1-7(2)10-8-4-3-5-9(12)11(8)14-6-13-10;1-9(2)10-7-11(13-8-12-10)14-3-5-15-6-4-14;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-4-7-15(13,14)11-8-10(9(2)3)5-6-12-11;1-5(2)7-4-8(9(10,11)12)14-6(3)13-7;1-6(2)7-3-4-12-8(5-7)9(10)11;1-7(2)8-5-9(12(3)4)11-6-10-8;1-7(2)8-3-5-9-6-4-8/h6-12H,1-5H3;2*4-9H,1-3H3;7-9H,3-6H2,1-2H3;2*3-8H,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-9H,1-2H3;2*6-9H,1-5H3;2*3-7H,1-2H3;7-9H,3-6H2,1-2H3;6-8H,1-5H3;5-6,8-9H,4,7H2,1-3H3;4-5H,1-3H3;3-6,9H,1-2H3;5-7H,1-4H3;3-7H,1-2H3
InChIKeyUUZNZMRDNSYODH-UHFFFAOYSA-N
XLogP57.34
TPSA404.36 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds28
Heavy Atoms263
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003615.92
LogP ≤ 557.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 4-tert-butyl-2-phenyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;6-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinoline;7-fluoro-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylquinoline;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-ylquinoline with MolForge

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Launch Full Analysis

Related Compounds

6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine;6-(4-methylsulfonylphenyl)-4-morpholin-4-ylpteridin-2-amine;4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine
CID 87727008
7-(3-chloro-2-pyridinyl)-N-[1-[2-(dimethylamino)ethyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-1-(2-morpholin-4-ylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroquinolin-7-yl]-6-(3-methylsulfonyl-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-[4,4-dimethyl-1-(2-piperidin-1-ylethyl)-2,3-dihydroquinolin-7-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroquinolin-7-yl]-6-(3-fluoro-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 157838873
7-(3-chloro-2-pyridinyl)-N-[2-[2-(dimethylamino)ethyl]-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-dihydroisoquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;4-cyclohexyl-3-N,3-N-dimethyl-1-N-(6-pyridin-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-yl)benzene-1,3-diamine;N-[4,4-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoquinolin-7-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-2-(3-piperidin-1-ylpropyl)-1,3-dihydroisoquinolin-7-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-2-(4-pyrrolidin-1-ylbutyl)-1,3-dihydroisoquinolin-7-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 160089315
6-(3-chloro-2-pyridinyl)-N-[2-[2-(dimethylamino)ethyl]-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-dihydroisoquinolin-7-yl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-[4,4-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoquinolin-7-yl]-6-[3-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-[4,4-dimethyl-2-(3-piperidin-1-ylpropyl)-1,3-dihydroisoquinolin-7-yl]-6-(3-methylsulfonyl-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-[4,4-dimethyl-2-(4-pyrrolidin-1-ylbutyl)-1,3-dihydroisoquinolin-7-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 160219751
5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 160932835
4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 160936649
5-[7-(5-Methylsulfonyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]pyrimidin-2-amine
CID 73056831
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-fluorophenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine
CID 160426875
4-(2-butyloctyl)thiomorpholine;6-tert-butylquinoline;N,N-dibutylquinolin-3-amine;N,N-dimethylpyridin-4-amine;4-(2-ethylhexyl)-1,4-thiazinane 1,1-dioxide;1-hexylimidazole;4-naphthalen-2-ylmorpholine;1-octylpiperidine;4-octylthiomorpholine;1-phenylimidazole;1-phenylpyrrolidine
CID 165028880

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-phenyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;6-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinoline;7-fluoro-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylquinoline;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-ylquinoline?
The IUPAC name of 4-tert-butyl-2-phenyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;6-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinoline;7-fluoro-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylquinoline;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-ylquinoline (CID 161201178) is 4-tert-butyl-2-phenyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;6-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinoline;7-fluoro-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylquinoline;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-ylquinoline.
What is the SMILES notation for 4-tert-butyl-2-phenyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;6-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinoline;7-fluoro-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylquinoline;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-ylquinoline?
The canonical SMILES for 4-tert-butyl-2-phenyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;6-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinoline;7-fluoro-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylquinoline;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-ylquinoline is CC(C)c1cc(C(C)(C)C)nc(-c2ccccc2)n1.CC(C)c1cc(N(C)C)ncn1.CC(C)c1cc(N2CCC(F)(F)CC2)ncn1.CC(C)c1cc(N2CCOCC2)ncn1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1ccnc(C(F)F)c1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccnc2cc(F)ccc12.CC(C)c1ccnc2cccc(F)c12.CC(C)c1ccnc2ccccc12.CC(C)c1ccncc1.CC(C)c1ncnc2c(F)cccc12.CC(C)c1ncnc2ccc(F)cc12.CCCS(=O)(=O)c1cc(C(C)C)ccn1.Cc1ccc2c(C(C)C)ccnc2c1.Cc1ccc2nccc(C(C)C)c2c1.Cc1nc(C(C)C)cc(C(F)(F)F)n1.
What is the InChIKey of 4-tert-butyl-2-phenyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;6-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinoline;7-fluoro-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylquinoline;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-ylquinoline?
The InChIKey is UUZNZMRDNSYODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2.2C13H15N.C12H17F2N3.2C12H12FN.C12H18N2.C12H13N.2C12H19N.2C11H11FN2.C11H17N3O.C11H18N2.C11H17NO2S.C9H11F3N2.C9H11F2N.C9H15N3.C8H11N/c1-12(2)14-11-15(17(3,4)5)19-16(18-14)13-9-7-6-8-10-13;1-9(2)11-6-7-14-13-5-4-10(3)8-12(11)13;1-9(2)11-6-7-14-13-8-10(3)4-5-12(11)13;1-9(2)10-7-11(16-8-15-10)17-5-3-12(13,14)4-6-17;1-8(2)10-5-6-14-12-7-9(13)3-4-11(10)12;1-8(2)9-6-7-14-11-5-3-4-10(13)12(9)11;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)10-6-7-13-11(8-10)12(3,4)5;1-9(2)10-7-6-8-11(13-10)12(3,4)5;1-7(2)11-9-5-8(12)3-4-10(9)13-6-14-11;1-7(2)10-8-4-3-5-9(12)11(8)14-6-13-10;1-9(2)10-7-11(13-8-12-10)14-3-5-15-6-4-14;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-4-7-15(13,14)11-8-10(9(2)3)5-6-12-11;1-5(2)7-4-8(9(10,11)12)14-6(3)13-7;1-6(2)7-3-4-12-8(5-7)9(10)11;1-7(2)8-5-9(12(3)4)11-6-10-8;1-7(2)8-3-5-9-6-4-8/h6-12H,1-5H3;2*4-9H,1-3H3;7-9H,3-6H2,1-2H3;2*3-8H,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-9H,1-2H3;2*6-9H,1-5H3;2*3-7H,1-2H3;7-9H,3-6H2,1-2H3;6-8H,1-5H3;5-6,8-9H,4,7H2,1-3H3;4-5H,1-3H3;3-6,9H,1-2H3;5-7H,1-4H3;3-7H,1-2H3.
What are the key properties of 4-tert-butyl-2-phenyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;6-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinoline;7-fluoro-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylquinoline;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-ylquinoline?
4-tert-butyl-2-phenyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;6-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinoline;7-fluoro-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylquinoline;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-ylquinoline has a molecular weight of 3615.92 g/mol, XLogP of 57.34, 28 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-phenyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;6-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinoline;7-fluoro-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylquinoline;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-ylquinoline is sourced from PubChem (CID 161201178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).