4-tert-butyl-6-[[1-(2-ethylsulfanylethyl)azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;4-tert-butyl-6-[[1-(2-methylsulfonylethyl)azetidin-3-yl]methyl]pyrimidine;4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-amine;bis(4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-ol);N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]acetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexane-1-carboxamide;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-2-ol;1-[(3R)-3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;methane

C188H334N30O9S2 — CID 160893717

IUPAC4-tert-butyl-6-[[1-(2-ethylsulfanylethyl)azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;4-tert-butyl-6-[[1-(2-methylsulfonylethyl)azetidin-3-yl]methyl]pyrimidine;4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-amine;bis(4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-ol);N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]acetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexane-1-carboxamide;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-2-ol;1-[(3R)-3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(=O)N1CC[C@H](Cc2cc(C(C)(C)C)ncn2)C1.CC(=O)NC1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.CC(C)(C)c1cc(CC2CCC(N)CC2)ncn1.CC(C)(C)c1cc(CC2CCC(O)CC2)ncn1.CC(C)(C)c1cc(CC2CCC(O)CC2)ncn1.CC(C)(C)c1cc(CC2CN(CCS(C)(=O)=O)C2)ncn1.CC(C)(O)CN1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.CCSCCN1CC(Cc2cc(C(C)(C)C)ncn2)C1.CN(C)C(=O)C1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.CN(C)C1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.COC1CCC(Cc2cc(C(C)(C)C)ncn2)CC1
InChIInChI=1S/C18H31N3O.C18H29N3O.C17H27N3O.C17H29N3.C16H27N3S.C16H26N2O.C15H25N3O2S.C15H23N3O.C15H25N3.2C15H24N2O.11CH4/c1-17(2,3)16-11-15(19-13-20-16)10-14-6-8-21(9-7-14)12-18(4,5)22;1-18(2,3)16-11-15(19-12-20-16)10-13-6-8-14(9-7-13)17(22)21(4)5;1-12(21)20-14-7-5-13(6-8-14)9-15-10-16(17(2,3)4)19-11-18-15;1-17(2,3)16-11-14(18-12-19-16)10-13-6-8-15(9-7-13)20(4)5;1-5-20-7-6-19-10-13(11-19)8-14-9-15(16(2,3)4)18-12-17-14;1-16(2,3)15-10-13(17-11-18-15)9-12-5-7-14(19-4)8-6-12;1-15(2,3)14-8-13(16-11-17-14)7-12-9-18(10-12)5-6-21(4,19)20;1-11(19)18-6-5-12(9-18)7-13-8-14(15(2,3)4)17-10-16-13;1-15(2,3)14-9-13(17-10-18-14)8-11-4-6-12(16)7-5-11;2*1-15(2,3)14-9-12(16-10-17-14)8-11-4-6-13(18)7-5-11;;;;;;;;;;;/h11,13-14,22H,6-10,12H2,1-5H3;11-14H,6-10H2,1-5H3;10-11,13-14H,5-9H2,1-4H3,(H,20,21);11-13,15H,6-10H2,1-5H3;9,12-13H,5-8,10-11H2,1-4H3;10-12,14H,5-9H2,1-4H3;8,11-12H,5-7,9-10H2,1-4H3;8,10,12H,5-7,9H2,1-4H3;9-12H,4-8,16H2,1-3H3;2*9-11,13,18H,4-8H2,1-3H3;11*1H4/t;;;;;;;12-;;;;;;;;;;;;;;/m.......1............../s1
InChIKeySOPHCUQKZLVVBT-XWEFHKGYSA-N
MW3223.07 g/mol
LogP38.03
Rot. Bonds35

About 4-tert-butyl-6-[[1-(2-ethylsulfanylethyl)azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;4-tert-butyl-6-[[1-(2-methylsulfonylethyl)azetidin-3-yl]methyl]pyrimidine;4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-amine;bis(4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-ol);N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]acetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexane-1-carboxamide;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-2-ol;1-[(3R)-3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;methane

4-tert-butyl-6-[[1-(2-ethylsulfanylethyl)azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;4-tert-butyl-6-[[1-(2-methylsulfonylethyl)azetidin-3-yl]methyl]pyrimidine;4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-amine;bis(4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-ol);N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]acetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexane-1-carboxamide;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-2-ol;1-[(3R)-3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;methane (PubChem CID 160893717) has the molecular formula C188H334N30O9S2 and a molecular weight of 3223.07 g/mol. Its IUPAC name is 4-tert-butyl-6-[[1-(2-ethylsulfanylethyl)azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;4-tert-butyl-6-[[1-(2-methylsulfonylethyl)azetidin-3-yl]methyl]pyrimidine;4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-amine;bis(4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-ol);N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]acetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexane-1-carboxamide;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-2-ol;1-[(3R)-3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;methane.

Molecular Properties

Compound Name4-tert-butyl-6-[[1-(2-ethylsulfanylethyl)azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;4-tert-butyl-6-[[1-(2-methylsulfonylethyl)azetidin-3-yl]methyl]pyrimidine;4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-amine;bis(4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-ol);N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]acetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexane-1-carboxamide;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-2-ol;1-[(3R)-3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;methane
PubChem CID160893717
Molecular FormulaC188H334N30O9S2
Molecular Weight3223.07 g/mol
Exact Mass3220.60
IUPAC Name4-tert-butyl-6-[[1-(2-ethylsulfanylethyl)azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;4-tert-butyl-6-[[1-(2-methylsulfonylethyl)azetidin-3-yl]methyl]pyrimidine;4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-amine;bis(4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-ol);N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]acetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexane-1-carboxamide;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-2-ol;1-[(3R)-3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(=O)N1CC[C@H](Cc2cc(C(C)(C)C)ncn2)C1.CC(=O)NC1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.CC(C)(C)c1cc(CC2CCC(N)CC2)ncn1.CC(C)(C)c1cc(CC2CCC(O)CC2)ncn1.CC(C)(C)c1cc(CC2CCC(O)CC2)ncn1.CC(C)(C)c1cc(CC2CN(CCS(C)(=O)=O)C2)ncn1.CC(C)(O)CN1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.CCSCCN1CC(Cc2cc(C(C)(C)C)ncn2)C1.CN(C)C(=O)C1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.CN(C)C1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.COC1CCC(Cc2cc(C(C)(C)C)ncn2)CC1
InChIInChI=1S/C18H31N3O.C18H29N3O.C17H27N3O.C17H29N3.C16H27N3S.C16H26N2O.C15H25N3O2S.C15H23N3O.C15H25N3.2C15H24N2O.11CH4/c1-17(2,3)16-11-15(19-13-20-16)10-14-6-8-21(9-7-14)12-18(4,5)22;1-18(2,3)16-11-15(19-12-20-16)10-13-6-8-14(9-7-13)17(22)21(4)5;1-12(21)20-14-7-5-13(6-8-14)9-15-10-16(17(2,3)4)19-11-18-15;1-17(2,3)16-11-14(18-12-19-16)10-13-6-8-15(9-7-13)20(4)5;1-5-20-7-6-19-10-13(11-19)8-14-9-15(16(2,3)4)18-12-17-14;1-16(2,3)15-10-13(17-11-18-15)9-12-5-7-14(19-4)8-6-12;1-15(2,3)14-8-13(16-11-17-14)7-12-9-18(10-12)5-6-21(4,19)20;1-11(19)18-6-5-12(9-18)7-13-8-14(15(2,3)4)17-10-16-13;1-15(2,3)14-9-13(17-10-18-14)8-11-4-6-12(16)7-5-11;2*1-15(2,3)14-9-12(16-10-17-14)8-11-4-6-13(18)7-5-11;;;;;;;;;;;/h11,13-14,22H,6-10,12H2,1-5H3;11-14H,6-10H2,1-5H3;10-11,13-14H,5-9H2,1-4H3,(H,20,21);11-13,15H,6-10H2,1-5H3;9,12-13H,5-8,10-11H2,1-4H3;10-12,14H,5-9H2,1-4H3;8,11-12H,5-7,9-10H2,1-4H3;8,10,12H,5-7,9H2,1-4H3;9-12H,4-8,16H2,1-3H3;2*9-11,13,18H,4-8H2,1-3H3;11*1H4/t;;;;;;;12-;;;;;;;;;;;;;;/m.......1............../s1
InChIKeySOPHCUQKZLVVBT-XWEFHKGYSA-N
XLogP38.03
TPSA496.34 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds35
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003223.07
LogP ≤ 538.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-6-[[1-(2-ethylsulfanylethyl)azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;4-tert-butyl-6-[[1-(2-methylsulfonylethyl)azetidin-3-yl]methyl]pyrimidine;4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-amine;bis(4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-ol);N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]acetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexane-1-carboxamide;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-2-ol;1-[(3R)-3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-[[1-(2-ethylsulfanylethyl)azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;4-tert-butyl-6-[[1-(2-methylsulfonylethyl)azetidin-3-yl]methyl]pyrimidine;4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-amine;bis(4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-ol);N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]acetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexane-1-carboxamide;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-2-ol;1-[(3R)-3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;methane?
The IUPAC name of 4-tert-butyl-6-[[1-(2-ethylsulfanylethyl)azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;4-tert-butyl-6-[[1-(2-methylsulfonylethyl)azetidin-3-yl]methyl]pyrimidine;4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-amine;bis(4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-ol);N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]acetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexane-1-carboxamide;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-2-ol;1-[(3R)-3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;methane (CID 160893717) is 4-tert-butyl-6-[[1-(2-ethylsulfanylethyl)azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;4-tert-butyl-6-[[1-(2-methylsulfonylethyl)azetidin-3-yl]methyl]pyrimidine;4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-amine;bis(4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-ol);N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]acetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexane-1-carboxamide;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-2-ol;1-[(3R)-3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;methane.
What is the SMILES notation for 4-tert-butyl-6-[[1-(2-ethylsulfanylethyl)azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;4-tert-butyl-6-[[1-(2-methylsulfonylethyl)azetidin-3-yl]methyl]pyrimidine;4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-amine;bis(4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-ol);N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]acetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexane-1-carboxamide;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-2-ol;1-[(3R)-3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;methane?
The canonical SMILES for 4-tert-butyl-6-[[1-(2-ethylsulfanylethyl)azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;4-tert-butyl-6-[[1-(2-methylsulfonylethyl)azetidin-3-yl]methyl]pyrimidine;4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-amine;bis(4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-ol);N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]acetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexane-1-carboxamide;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-2-ol;1-[(3R)-3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;methane is C.C.C.C.C.C.C.C.C.C.C.CC(=O)N1CC[C@H](Cc2cc(C(C)(C)C)ncn2)C1.CC(=O)NC1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.CC(C)(C)c1cc(CC2CCC(N)CC2)ncn1.CC(C)(C)c1cc(CC2CCC(O)CC2)ncn1.CC(C)(C)c1cc(CC2CCC(O)CC2)ncn1.CC(C)(C)c1cc(CC2CN(CCS(C)(=O)=O)C2)ncn1.CC(C)(O)CN1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.CCSCCN1CC(Cc2cc(C(C)(C)C)ncn2)C1.CN(C)C(=O)C1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.CN(C)C1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.COC1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.
What is the InChIKey of 4-tert-butyl-6-[[1-(2-ethylsulfanylethyl)azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;4-tert-butyl-6-[[1-(2-methylsulfonylethyl)azetidin-3-yl]methyl]pyrimidine;4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-amine;bis(4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-ol);N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]acetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexane-1-carboxamide;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-2-ol;1-[(3R)-3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;methane?
The InChIKey is SOPHCUQKZLVVBT-XWEFHKGYSA-N. The full InChI is InChI=1S/C18H31N3O.C18H29N3O.C17H27N3O.C17H29N3.C16H27N3S.C16H26N2O.C15H25N3O2S.C15H23N3O.C15H25N3.2C15H24N2O.11CH4/c1-17(2,3)16-11-15(19-13-20-16)10-14-6-8-21(9-7-14)12-18(4,5)22;1-18(2,3)16-11-15(19-12-20-16)10-13-6-8-14(9-7-13)17(22)21(4)5;1-12(21)20-14-7-5-13(6-8-14)9-15-10-16(17(2,3)4)19-11-18-15;1-17(2,3)16-11-14(18-12-19-16)10-13-6-8-15(9-7-13)20(4)5;1-5-20-7-6-19-10-13(11-19)8-14-9-15(16(2,3)4)18-12-17-14;1-16(2,3)15-10-13(17-11-18-15)9-12-5-7-14(19-4)8-6-12;1-15(2,3)14-8-13(16-11-17-14)7-12-9-18(10-12)5-6-21(4,19)20;1-11(19)18-6-5-12(9-18)7-13-8-14(15(2,3)4)17-10-16-13;1-15(2,3)14-9-13(17-10-18-14)8-11-4-6-12(16)7-5-11;2*1-15(2,3)14-9-12(16-10-17-14)8-11-4-6-13(18)7-5-11;;;;;;;;;;;/h11,13-14,22H,6-10,12H2,1-5H3;11-14H,6-10H2,1-5H3;10-11,13-14H,5-9H2,1-4H3,(H,20,21);11-13,15H,6-10H2,1-5H3;9,12-13H,5-8,10-11H2,1-4H3;10-12,14H,5-9H2,1-4H3;8,11-12H,5-7,9-10H2,1-4H3;8,10,12H,5-7,9H2,1-4H3;9-12H,4-8,16H2,1-3H3;2*9-11,13,18H,4-8H2,1-3H3;11*1H4/t;;;;;;;12-;;;;;;;;;;;;;;/m.......1............../s1.
What are the key properties of 4-tert-butyl-6-[[1-(2-ethylsulfanylethyl)azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;4-tert-butyl-6-[[1-(2-methylsulfonylethyl)azetidin-3-yl]methyl]pyrimidine;4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-amine;bis(4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-ol);N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]acetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexane-1-carboxamide;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-2-ol;1-[(3R)-3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;methane?
4-tert-butyl-6-[[1-(2-ethylsulfanylethyl)azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;4-tert-butyl-6-[[1-(2-methylsulfonylethyl)azetidin-3-yl]methyl]pyrimidine;4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-amine;bis(4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-ol);N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]acetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexane-1-carboxamide;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-2-ol;1-[(3R)-3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;methane has a molecular weight of 3223.07 g/mol, XLogP of 38.03, 35 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-[[1-(2-ethylsulfanylethyl)azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;4-tert-butyl-6-[[1-(2-methylsulfonylethyl)azetidin-3-yl]methyl]pyrimidine;4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-amine;bis(4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-ol);N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]acetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexane-1-carboxamide;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-2-ol;1-[(3R)-3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;methane is sourced from PubChem (CID 160893717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).