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-λ6-sulfane;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine

C160H272F2N26O2S — CID 159438845

IUPAC1-(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-λ6-sulfane;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine
SMILESC=Cc1cnc(C)nc1C(C)(C)C.C=S(C)(=O)c1nc(C)c(C(C)C)c(C(C)(C)C)n1.CC(C)c1cnc(CN2CCCC2)nc1C(C)(C)C.CCc1nc(CN(C)C)nc(C(C)(C)C)c1CC.CCc1nc(CNC)nc(C(C)(C)C)c1C(C)C.COCc1nc(C)c(C(C)C)c(C(C)(C)C)n1.Cc1nc(C(C)C)nc(C(C)(C)C)c1C(C)C.Cc1nc(C)c(C(C)C)c(C(C)(C)C)n1.Cc1nc(CCC(C)(C)C)nc(C(C)(C)C)c1C(C)C.Cc1nc(CN2CCC(F)(F)C2)nc(C(C)(C)C)c1C(C)C.Cc1ncnc(C(C)(C)C)c1C(C)C
InChIInChI=1S/C18H32N2.C17H27F2N3.C16H27N3.2C15H27N3.C15H26N2.C14H24N2OS.C14H24N2O.C13H22N2.C12H20N2.C11H16N2/c1-12(2)15-13(3)19-14(10-11-17(4,5)6)20-16(15)18(7,8)9;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)13-10-17-14(11-19-8-6-7-9-19)18-15(13)16(3,4)5;1-8-11-13(10(2)3)14(15(4,5)6)18-12(17-11)9-16-7;1-8-11-12(9-2)16-13(10-18(6)7)17-14(11)15(3,4)5;1-9(2)12-11(5)16-14(10(3)4)17-13(12)15(6,7)8;1-9(2)11-10(3)15-13(18(7,8)17)16-12(11)14(4,5)6;1-9(2)12-10(3)15-11(8-17-7)16-13(12)14(4,5)6;1-8(2)11-9(3)14-10(4)15-12(11)13(5,6)7;1-8(2)10-9(3)13-7-14-11(10)12(4,5)6;1-6-9-7-12-8(2)13-10(9)11(3,4)5/h12H,10-11H2,1-9H3;11H,7-10H2,1-6H3;10,12H,6-9,11H2,1-5H3;10,16H,8-9H2,1-7H3;8-10H2,1-7H3;9-10H,1-8H3;9H,7H2,1-6,8H3;9H,8H2,1-7H3;8H,1-7H3;7-8H,1-6H3;6-7H,1H2,2-5H3
InChIKeyLRXNKWCMFBBGCS-UHFFFAOYSA-N
MW2662.18 g/mol
LogP38.90
Rot. Bonds27

About 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-λ6-sulfane;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine

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-λ6-sulfane;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine (PubChem CID 159438845) has the molecular formula C160H272F2N26O2S and a molecular weight of 2662.18 g/mol. Its IUPAC name is 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-λ6-sulfane;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine.

Molecular Properties

Compound Name1-(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-λ6-sulfane;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine
PubChem CID159438845
Molecular FormulaC160H272F2N26O2S
Molecular Weight2662.18 g/mol
Exact Mass2660.17
IUPAC Name1-(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-λ6-sulfane;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine
SMILESC=Cc1cnc(C)nc1C(C)(C)C.C=S(C)(=O)c1nc(C)c(C(C)C)c(C(C)(C)C)n1.CC(C)c1cnc(CN2CCCC2)nc1C(C)(C)C.CCc1nc(CN(C)C)nc(C(C)(C)C)c1CC.CCc1nc(CNC)nc(C(C)(C)C)c1C(C)C.COCc1nc(C)c(C(C)C)c(C(C)(C)C)n1.Cc1nc(C(C)C)nc(C(C)(C)C)c1C(C)C.Cc1nc(C)c(C(C)C)c(C(C)(C)C)n1.Cc1nc(CCC(C)(C)C)nc(C(C)(C)C)c1C(C)C.Cc1nc(CN2CCC(F)(F)C2)nc(C(C)(C)C)c1C(C)C.Cc1ncnc(C(C)(C)C)c1C(C)C
InChIInChI=1S/C18H32N2.C17H27F2N3.C16H27N3.2C15H27N3.C15H26N2.C14H24N2OS.C14H24N2O.C13H22N2.C12H20N2.C11H16N2/c1-12(2)15-13(3)19-14(10-11-17(4,5)6)20-16(15)18(7,8)9;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)13-10-17-14(11-19-8-6-7-9-19)18-15(13)16(3,4)5;1-8-11-13(10(2)3)14(15(4,5)6)18-12(17-11)9-16-7;1-8-11-12(9-2)16-13(10-18(6)7)17-14(11)15(3,4)5;1-9(2)12-11(5)16-14(10(3)4)17-13(12)15(6,7)8;1-9(2)11-10(3)15-13(18(7,8)17)16-12(11)14(4,5)6;1-9(2)12-10(3)15-11(8-17-7)16-13(12)14(4,5)6;1-8(2)11-9(3)14-10(4)15-12(11)13(5,6)7;1-8(2)10-9(3)13-7-14-11(10)12(4,5)6;1-6-9-7-12-8(2)13-10(9)11(3,4)5/h12H,10-11H2,1-9H3;11H,7-10H2,1-6H3;10,12H,6-9,11H2,1-5H3;10,16H,8-9H2,1-7H3;8-10H2,1-7H3;9-10H,1-8H3;9H,7H2,1-6,8H3;9H,8H2,1-7H3;8H,1-7H3;7-8H,1-6H3;6-7H,1H2,2-5H3
InChIKeyLRXNKWCMFBBGCS-UHFFFAOYSA-N
XLogP38.90
TPSA331.63 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds27
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002662.18
LogP ≤ 538.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 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-λ6-sulfane;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-tert-butyl-6-chloro-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5,6-diethylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-[4-tert-butyl-5-(2,2-difluoropropyl)pyrimidin-2-yl]-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethyl-6-methylpyrimidin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butyl-5-ethylpyrimidin-2-yl)-N,N-dimethylmethanamine;4-tert-butyl-6-methyl-2-methylsulfonyl-5-propan-2-ylpyrimidine;bis(4-tert-butyl-6-methyl-5-propan-2-ylpyrimidin-2-amine);4-tert-butyl-6-methyl-5-propan-2-ylpyrimidine;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
CID 158919904
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-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

Frequently Asked Questions

What is the IUPAC name of 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-λ6-sulfane;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine?
The IUPAC name of 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-λ6-sulfane;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine (CID 159438845) is 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-λ6-sulfane;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine.
What is the SMILES notation for 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-λ6-sulfane;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine?
The canonical SMILES for 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-λ6-sulfane;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine is C=Cc1cnc(C)nc1C(C)(C)C.C=S(C)(=O)c1nc(C)c(C(C)C)c(C(C)(C)C)n1.CC(C)c1cnc(CN2CCCC2)nc1C(C)(C)C.CCc1nc(CN(C)C)nc(C(C)(C)C)c1CC.CCc1nc(CNC)nc(C(C)(C)C)c1C(C)C.COCc1nc(C)c(C(C)C)c(C(C)(C)C)n1.Cc1nc(C(C)C)nc(C(C)(C)C)c1C(C)C.Cc1nc(C)c(C(C)C)c(C(C)(C)C)n1.Cc1nc(CCC(C)(C)C)nc(C(C)(C)C)c1C(C)C.Cc1nc(CN2CCC(F)(F)C2)nc(C(C)(C)C)c1C(C)C.Cc1ncnc(C(C)(C)C)c1C(C)C.
What is the InChIKey of 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-λ6-sulfane;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine?
The InChIKey is LRXNKWCMFBBGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2.C17H27F2N3.C16H27N3.2C15H27N3.C15H26N2.C14H24N2OS.C14H24N2O.C13H22N2.C12H20N2.C11H16N2/c1-12(2)15-13(3)19-14(10-11-17(4,5)6)20-16(15)18(7,8)9;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)13-10-17-14(11-19-8-6-7-9-19)18-15(13)16(3,4)5;1-8-11-13(10(2)3)14(15(4,5)6)18-12(17-11)9-16-7;1-8-11-12(9-2)16-13(10-18(6)7)17-14(11)15(3,4)5;1-9(2)12-11(5)16-14(10(3)4)17-13(12)15(6,7)8;1-9(2)11-10(3)15-13(18(7,8)17)16-12(11)14(4,5)6;1-9(2)12-10(3)15-11(8-17-7)16-13(12)14(4,5)6;1-8(2)11-9(3)14-10(4)15-12(11)13(5,6)7;1-8(2)10-9(3)13-7-14-11(10)12(4,5)6;1-6-9-7-12-8(2)13-10(9)11(3,4)5/h12H,10-11H2,1-9H3;11H,7-10H2,1-6H3;10,12H,6-9,11H2,1-5H3;10,16H,8-9H2,1-7H3;8-10H2,1-7H3;9-10H,1-8H3;9H,7H2,1-6,8H3;9H,8H2,1-7H3;8H,1-7H3;7-8H,1-6H3;6-7H,1H2,2-5H3.
What are the key properties of 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-λ6-sulfane;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine?
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-λ6-sulfane;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine has a molecular weight of 2662.18 g/mol, XLogP of 38.90, 27 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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-λ6-sulfane;4-tert-butyl-5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine is sourced from PubChem (CID 159438845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).