4-tert-butyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-5-ethenylpyrimidin-2-amine;1-(4-tert-butyl-6-ethyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-2-(methoxymethyl)-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylpyrimidine;1-(4-tert-butyl-5-methyl-6-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(1R)-1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanamine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-2-methylpropan-2-amine;4-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-2,2,2-trifluoroethanol;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine

C182H311F5N34O4 — CID 161158747

IUPAC4-tert-butyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-5-ethenylpyrimidin-2-amine;1-(4-tert-butyl-6-ethyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-2-(methoxymethyl)-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylpyrimidine;1-(4-tert-butyl-5-methyl-6-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(1R)-1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanamine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-2-methylpropan-2-amine;4-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-2,2,2-trifluoroethanol;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine
SMILESC=Cc1cnc(N)nc1C(C)(C)C.CC(C)c1cnc(CN2CCCC2)nc1C(C)(C)C.CCc1nc(CN(C)C)nc(C(C)(C)C)c1C(C)C.COCc1nc(C)c(C(C)C)c(C(C)(C)C)n1.Cc1c(C(C)C)nc(CN(C)C)nc1C(C)(C)C.Cc1nc(C(C)O)nc(C(C)(C)C)c1C(C)C.Cc1nc(C(O)C(F)(F)F)nc(C(C)(C)C)c1C(C)C.Cc1nc(CN2CCC(F)(F)C2)nc(C(C)(C)C)c1C(C)C.Cc1nc(CN2CCN(C)CC2)nc(C(C)(C)C)c1C(C)C.Cc1nc(CN2CCOCC2)nc(C(C)(C)C)c1C(C)C.Cc1nc(CNC(C)(C)C)nc(C(C)(C)C)c1C(C)C.Cc1nc([C@@H](C)N)nc(C(C)(C)C)c1C(C)C
InChIInChI=1S/C18H32N4.C17H27F2N3.C17H29N3O.C17H31N3.C16H27N3.C16H29N3.C15H27N3.C14H21F3N2O.C14H25N3.2C14H24N2O.C10H15N3/c1-13(2)16-14(3)19-15(20-17(16)18(4,5)6)12-22-10-8-21(7)9-11-22;1-11(2)14-12(3)20-13(21-15(14)16(4,5)6)9-22-8-7-17(18,19)10-22;1-12(2)15-13(3)18-14(19-16(15)17(4,5)6)11-20-7-9-21-10-8-20;1-11(2)14-12(3)19-13(10-18-17(7,8)9)20-15(14)16(4,5)6;1-12(2)13-10-17-14(11-19-8-6-7-9-19)18-15(13)16(3,4)5;1-9-12-14(11(2)3)15(16(4,5)6)18-13(17-12)10-19(7)8;1-10(2)13-11(3)14(15(4,5)6)17-12(16-13)9-18(7)8;1-7(2)9-8(3)18-12(11(20)14(15,16)17)19-10(9)13(4,5)6;1-8(2)11-10(4)16-13(9(3)15)17-12(11)14(5,6)7;1-9(2)12-10(3)15-11(8-17-7)16-13(12)14(4,5)6;1-8(2)11-9(3)15-13(10(4)17)16-12(11)14(5,6)7;1-5-7-6-12-9(11)13-8(7)10(2,3)4/h13H,8-12H2,1-7H3;11H,7-10H2,1-6H3;12H,7-11H2,1-6H3;11,18H,10H2,1-9H3;10,12H,6-9,11H2,1-5H3;11H,9-10H2,1-8H3;10H,9H2,1-8H3;7,11,20H,1-6H3;8-9H,15H2,1-7H3;9H,8H2,1-7H3;8,10,17H,1-7H3;5-6H,1H2,2-4H3,(H2,11,12,13)/t;;;;;;;;9-;;;/m........1.../s1
InChIKeyUPQLZPLLNSHQMO-FTFQPMJWSA-N
MW3134.71 g/mol
LogP40.05
Rot. Bonds32

About 4-tert-butyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-5-ethenylpyrimidin-2-amine;1-(4-tert-butyl-6-ethyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-2-(methoxymethyl)-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylpyrimidine;1-(4-tert-butyl-5-methyl-6-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(1R)-1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanamine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-2-methylpropan-2-amine;4-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-2,2,2-trifluoroethanol;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine

4-tert-butyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-5-ethenylpyrimidin-2-amine;1-(4-tert-butyl-6-ethyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-2-(methoxymethyl)-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylpyrimidine;1-(4-tert-butyl-5-methyl-6-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(1R)-1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanamine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-2-methylpropan-2-amine;4-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-2,2,2-trifluoroethanol;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine (PubChem CID 161158747) has the molecular formula C182H311F5N34O4 and a molecular weight of 3134.71 g/mol. Its IUPAC name is 4-tert-butyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-5-ethenylpyrimidin-2-amine;1-(4-tert-butyl-6-ethyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-2-(methoxymethyl)-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylpyrimidine;1-(4-tert-butyl-5-methyl-6-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(1R)-1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanamine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-2-methylpropan-2-amine;4-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-2,2,2-trifluoroethanol;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-5-ethenylpyrimidin-2-amine;1-(4-tert-butyl-6-ethyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-2-(methoxymethyl)-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylpyrimidine;1-(4-tert-butyl-5-methyl-6-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(1R)-1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanamine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-2-methylpropan-2-amine;4-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-2,2,2-trifluoroethanol;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine
PubChem CID161158747
Molecular FormulaC182H311F5N34O4
Molecular Weight3134.71 g/mol
Exact Mass3132.51
IUPAC Name4-tert-butyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-5-ethenylpyrimidin-2-amine;1-(4-tert-butyl-6-ethyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-2-(methoxymethyl)-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylpyrimidine;1-(4-tert-butyl-5-methyl-6-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(1R)-1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanamine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-2-methylpropan-2-amine;4-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-2,2,2-trifluoroethanol;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine
SMILESC=Cc1cnc(N)nc1C(C)(C)C.CC(C)c1cnc(CN2CCCC2)nc1C(C)(C)C.CCc1nc(CN(C)C)nc(C(C)(C)C)c1C(C)C.COCc1nc(C)c(C(C)C)c(C(C)(C)C)n1.Cc1c(C(C)C)nc(CN(C)C)nc1C(C)(C)C.Cc1nc(C(C)O)nc(C(C)(C)C)c1C(C)C.Cc1nc(C(O)C(F)(F)F)nc(C(C)(C)C)c1C(C)C.Cc1nc(CN2CCC(F)(F)C2)nc(C(C)(C)C)c1C(C)C.Cc1nc(CN2CCN(C)CC2)nc(C(C)(C)C)c1C(C)C.Cc1nc(CN2CCOCC2)nc(C(C)(C)C)c1C(C)C.Cc1nc(CNC(C)(C)C)nc(C(C)(C)C)c1C(C)C.Cc1nc([C@@H](C)N)nc(C(C)(C)C)c1C(C)C
InChIInChI=1S/C18H32N4.C17H27F2N3.C17H29N3O.C17H31N3.C16H27N3.C16H29N3.C15H27N3.C14H21F3N2O.C14H25N3.2C14H24N2O.C10H15N3/c1-13(2)16-14(3)19-15(20-17(16)18(4,5)6)12-22-10-8-21(7)9-11-22;1-11(2)14-12(3)20-13(21-15(14)16(4,5)6)9-22-8-7-17(18,19)10-22;1-12(2)15-13(3)18-14(19-16(15)17(4,5)6)11-20-7-9-21-10-8-20;1-11(2)14-12(3)19-13(10-18-17(7,8)9)20-15(14)16(4,5)6;1-12(2)13-10-17-14(11-19-8-6-7-9-19)18-15(13)16(3,4)5;1-9-12-14(11(2)3)15(16(4,5)6)18-13(17-12)10-19(7)8;1-10(2)13-11(3)14(15(4,5)6)17-12(16-13)9-18(7)8;1-7(2)9-8(3)18-12(11(20)14(15,16)17)19-10(9)13(4,5)6;1-8(2)11-10(4)16-13(9(3)15)17-12(11)14(5,6)7;1-9(2)12-10(3)15-11(8-17-7)16-13(12)14(4,5)6;1-8(2)11-9(3)15-13(10(4)17)16-12(11)14(5,6)7;1-5-7-6-12-9(11)13-8(7)10(2,3)4/h13H,8-12H2,1-7H3;11H,7-10H2,1-6H3;12H,7-11H2,1-6H3;11,18H,10H2,1-9H3;10,12H,6-9,11H2,1-5H3;11H,9-10H2,1-8H3;10H,9H2,1-8H3;7,11,20H,1-6H3;8-9H,15H2,1-7H3;9H,8H2,1-7H3;8,10,17H,1-7H3;5-6H,1H2,2-4H3,(H2,11,12,13)/t;;;;;;;;9-;;;/m........1.../s1
InChIKeyUPQLZPLLNSHQMO-FTFQPMJWSA-N
XLogP40.05
TPSA455.03 Ų
H-Bond Donors5
H-Bond Acceptors38
Rotatable Bonds32
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003134.71
LogP ≤ 540.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1038

Analyze 4-tert-butyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-5-ethenylpyrimidin-2-amine;1-(4-tert-butyl-6-ethyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-2-(methoxymethyl)-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylpyrimidine;1-(4-tert-butyl-5-methyl-6-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(1R)-1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanamine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-2-methylpropan-2-amine;4-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-2,2,2-trifluoroethanol;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

1-(4-tert-butyl-5,6-diethylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-2-(3,3-dimethylbutyl)-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-2,6-dimethyl-5-propan-2-ylpyrimidine;4-tert-butyl-5-ethenyl-2-methylpyrimidine;1-(4-tert-butyl-6-ethyl-5-propan-2-ylpyrimidin-2-yl)-N-methylmethanamine;4-tert-butyl-2-(methoxymethyl)-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-2,5-di(propan-2-yl)pyrimidine;4-tert-butyl-6-methyl-5-propan-2-ylpyrimidine;(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-methyl-methylidene-oxo-lambda6-sulfane;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine
CID 159438845
4-[(2R)-2-tert-butylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;(3S,4R)-4-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 160223858
4-tert-butyl-5-ethenylpyrimidin-2-amine;1-(4-tert-butyl-6-ethyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-2-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-2-(methoxymethyl)-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-2-methylsulfonyl-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-2-(piperidin-1-ylmethyl)-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-5-propan-2-ylpyrimidine;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-2-methylpropan-2-amine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-2,2,2-trifluoroethanol;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine
CID 161040848
4-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-[(E)-3,3-dimethylbut-1-enyl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3,3-dimethylbut-1-ynyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;(3S,4R)-4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 161363968
1-(5-tert-butyl-4,6-dimethylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-5-ethenylpyrimidin-2-amine;bis(4-tert-butyl-5-ethyl-6-methylpyrimidin-2-amine);1-(4-tert-butyl-5-ethyl-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-6-ethyl-5-propan-2-ylpyrimidin-2-amine;4-tert-butyl-5-ethylpyrimidin-2-amine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-N-ethylethanamine;5-tert-butyl-2,4,6-trimethylpyrimidine;methane
CID 161879037

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-5-ethenylpyrimidin-2-amine;1-(4-tert-butyl-6-ethyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-2-(methoxymethyl)-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylpyrimidine;1-(4-tert-butyl-5-methyl-6-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(1R)-1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanamine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-2-methylpropan-2-amine;4-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-2,2,2-trifluoroethanol;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine?
The IUPAC name of 4-tert-butyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-5-ethenylpyrimidin-2-amine;1-(4-tert-butyl-6-ethyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-2-(methoxymethyl)-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylpyrimidine;1-(4-tert-butyl-5-methyl-6-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(1R)-1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanamine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-2-methylpropan-2-amine;4-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-2,2,2-trifluoroethanol;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine (CID 161158747) is 4-tert-butyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-5-ethenylpyrimidin-2-amine;1-(4-tert-butyl-6-ethyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-2-(methoxymethyl)-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylpyrimidine;1-(4-tert-butyl-5-methyl-6-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(1R)-1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanamine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-2-methylpropan-2-amine;4-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-2,2,2-trifluoroethanol;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine.
What is the SMILES notation for 4-tert-butyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-5-ethenylpyrimidin-2-amine;1-(4-tert-butyl-6-ethyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-2-(methoxymethyl)-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylpyrimidine;1-(4-tert-butyl-5-methyl-6-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(1R)-1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanamine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-2-methylpropan-2-amine;4-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-2,2,2-trifluoroethanol;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine?
The canonical SMILES for 4-tert-butyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-5-ethenylpyrimidin-2-amine;1-(4-tert-butyl-6-ethyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-2-(methoxymethyl)-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylpyrimidine;1-(4-tert-butyl-5-methyl-6-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(1R)-1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanamine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-2-methylpropan-2-amine;4-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-2,2,2-trifluoroethanol;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine is C=Cc1cnc(N)nc1C(C)(C)C.CC(C)c1cnc(CN2CCCC2)nc1C(C)(C)C.CCc1nc(CN(C)C)nc(C(C)(C)C)c1C(C)C.COCc1nc(C)c(C(C)C)c(C(C)(C)C)n1.Cc1c(C(C)C)nc(CN(C)C)nc1C(C)(C)C.Cc1nc(C(C)O)nc(C(C)(C)C)c1C(C)C.Cc1nc(C(O)C(F)(F)F)nc(C(C)(C)C)c1C(C)C.Cc1nc(CN2CCC(F)(F)C2)nc(C(C)(C)C)c1C(C)C.Cc1nc(CN2CCN(C)CC2)nc(C(C)(C)C)c1C(C)C.Cc1nc(CN2CCOCC2)nc(C(C)(C)C)c1C(C)C.Cc1nc(CNC(C)(C)C)nc(C(C)(C)C)c1C(C)C.Cc1nc([C@@H](C)N)nc(C(C)(C)C)c1C(C)C.
What is the InChIKey of 4-tert-butyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-5-ethenylpyrimidin-2-amine;1-(4-tert-butyl-6-ethyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-2-(methoxymethyl)-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylpyrimidine;1-(4-tert-butyl-5-methyl-6-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(1R)-1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanamine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-2-methylpropan-2-amine;4-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-2,2,2-trifluoroethanol;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine?
The InChIKey is UPQLZPLLNSHQMO-FTFQPMJWSA-N. The full InChI is InChI=1S/C18H32N4.C17H27F2N3.C17H29N3O.C17H31N3.C16H27N3.C16H29N3.C15H27N3.C14H21F3N2O.C14H25N3.2C14H24N2O.C10H15N3/c1-13(2)16-14(3)19-15(20-17(16)18(4,5)6)12-22-10-8-21(7)9-11-22;1-11(2)14-12(3)20-13(21-15(14)16(4,5)6)9-22-8-7-17(18,19)10-22;1-12(2)15-13(3)18-14(19-16(15)17(4,5)6)11-20-7-9-21-10-8-20;1-11(2)14-12(3)19-13(10-18-17(7,8)9)20-15(14)16(4,5)6;1-12(2)13-10-17-14(11-19-8-6-7-9-19)18-15(13)16(3,4)5;1-9-12-14(11(2)3)15(16(4,5)6)18-13(17-12)10-19(7)8;1-10(2)13-11(3)14(15(4,5)6)17-12(16-13)9-18(7)8;1-7(2)9-8(3)18-12(11(20)14(15,16)17)19-10(9)13(4,5)6;1-8(2)11-10(4)16-13(9(3)15)17-12(11)14(5,6)7;1-9(2)12-10(3)15-11(8-17-7)16-13(12)14(4,5)6;1-8(2)11-9(3)15-13(10(4)17)16-12(11)14(5,6)7;1-5-7-6-12-9(11)13-8(7)10(2,3)4/h13H,8-12H2,1-7H3;11H,7-10H2,1-6H3;12H,7-11H2,1-6H3;11,18H,10H2,1-9H3;10,12H,6-9,11H2,1-5H3;11H,9-10H2,1-8H3;10H,9H2,1-8H3;7,11,20H,1-6H3;8-9H,15H2,1-7H3;9H,8H2,1-7H3;8,10,17H,1-7H3;5-6H,1H2,2-4H3,(H2,11,12,13)/t;;;;;;;;9-;;;/m........1.../s1.
What are the key properties of 4-tert-butyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-5-ethenylpyrimidin-2-amine;1-(4-tert-butyl-6-ethyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-2-(methoxymethyl)-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylpyrimidine;1-(4-tert-butyl-5-methyl-6-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(1R)-1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanamine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-2-methylpropan-2-amine;4-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-2,2,2-trifluoroethanol;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine?
4-tert-butyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-5-ethenylpyrimidin-2-amine;1-(4-tert-butyl-6-ethyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-2-(methoxymethyl)-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylpyrimidine;1-(4-tert-butyl-5-methyl-6-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(1R)-1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanamine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-2-methylpropan-2-amine;4-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-2,2,2-trifluoroethanol;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine has a molecular weight of 3134.71 g/mol, XLogP of 40.05, 32 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-5-ethenylpyrimidin-2-amine;1-(4-tert-butyl-6-ethyl-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-2-(methoxymethyl)-6-methyl-5-propan-2-ylpyrimidine;4-tert-butyl-6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylpyrimidine;1-(4-tert-butyl-5-methyl-6-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanamine;(1R)-1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanamine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)ethanol;N-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-2-methylpropan-2-amine;4-[(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;1-(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)-2,2,2-trifluoroethanol;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine is sourced from PubChem (CID 161158747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).