N-benzyl-2-propan-2-ylpyridine-3-carboxamide;5-chloro-2-propan-2-ylpyridine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;9-methyl-6-propan-2-ylpurine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-ylpyridine-3-carbonitrile;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine;2-propan-2-ylpyrimidine;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine

C188H241ClF6N40O11S — CID 158564707

IUPACN-benzyl-2-propan-2-ylpyridine-3-carboxamide;5-chloro-2-propan-2-ylpyridine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;9-methyl-6-propan-2-ylpurine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-ylpyridine-3-carbonitrile;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine;2-propan-2-ylpyrimidine;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N)ncn1.CC(C)c1ccc(C(=O)c2ccccn2)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1nc2ccccc2s1.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1ncccc1C#N.CC(C)c1ncccc1C(=O)N1CCOCC1.CC(C)c1ncccc1C(=O)NCc1ccccc1.CC(C)c1ncccc1C(F)(F)F.CC(C)c1ncccn1.CC(C)c1nccnc1C#N.CC(C)c1ncnc2c1ncn2C.CC(C)c1ncnc2c1ncn2C1CCCCO1.CCOC(=O)c1cc(C)nc(C(C)C)n1.CCOC(=O)c1cnc(C)nc1C(C)C.COCc1cc(C(C)C)nc(-c2ccccc2)n1.Cc1cc(N(C)C)nc(C(C)C)n1.Cc1ccc(C(N)=O)c(C(C)C)n1
InChIInChI=1S/C16H18N2O.C15H18N2O.C14H14N2O.C13H18N4O.C13H18N2O2.2C11H16N2O2.C10H17N3.C10H14N2O.C10H11NS.C9H10F3N.C9H12N4.C9H10N2.C8H10ClN.C8H9F3N2.C8H9N3.C7H11N3.C7H10N2/c1-12(2)15-14(9-6-10-17-15)16(19)18-11-13-7-4-3-5-8-13;1-11(2)14-9-13(10-18-3)16-15(17-14)12-7-5-4-6-8-12;1-10(2)12-7-6-11(9-16-12)14(17)13-5-3-4-8-15-13;1-9(2)11-12-13(15-7-14-11)17(8-16-12)10-5-3-4-6-18-10;1-10(2)12-11(4-3-5-14-12)13(16)15-6-8-17-9-7-15;1-5-15-11(14)9-6-12-8(4)13-10(9)7(2)3;1-5-15-11(14)9-6-8(4)12-10(13-9)7(2)3;1-7(2)10-11-8(3)6-9(12-10)13(4)5;1-6(2)9-8(10(11)13)5-4-7(3)12-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-6(2)7-8-9(11-4-10-7)13(3)5-12-8;1-7(2)9-8(6-10)4-3-5-11-9;1-6(2)8-4-3-7(9)5-10-8;1-5(2)7-12-4-3-6(13-7)8(9,10)11;1-6(2)8-7(5-9)10-3-4-11-8;1-5(2)6-3-7(8)10-4-9-6;1-6(2)7-8-4-3-5-9-7/h3-10,12H,11H2,1-2H3,(H,18,19);4-9,11H,10H2,1-3H3;3-10H,1-2H3;7-10H,3-6H2,1-2H3;3-5,10H,6-9H2,1-2H3;2*6-7H,5H2,1-4H3;6-7H,1-5H3;4-6H,1-3H3,(H2,11,13);3-7H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;3-5,7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3-4,6H,1-2H3;3-5H,1-2H3,(H2,8,9,10);3-6H,1-2H3
InChIKeyHRIAQYYQNIPCCH-UHFFFAOYSA-N
MW3418.77 g/mol
LogP41.40
Rot. Bonds34

About N-benzyl-2-propan-2-ylpyridine-3-carboxamide;5-chloro-2-propan-2-ylpyridine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;9-methyl-6-propan-2-ylpurine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-ylpyridine-3-carbonitrile;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine;2-propan-2-ylpyrimidine;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine

N-benzyl-2-propan-2-ylpyridine-3-carboxamide;5-chloro-2-propan-2-ylpyridine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;9-methyl-6-propan-2-ylpurine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-ylpyridine-3-carbonitrile;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine;2-propan-2-ylpyrimidine;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 158564707) has the molecular formula C188H241ClF6N40O11S and a molecular weight of 3418.77 g/mol. Its IUPAC name is N-benzyl-2-propan-2-ylpyridine-3-carboxamide;5-chloro-2-propan-2-ylpyridine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;9-methyl-6-propan-2-ylpurine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-ylpyridine-3-carbonitrile;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine;2-propan-2-ylpyrimidine;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-propan-2-ylpyridine-3-carboxamide;5-chloro-2-propan-2-ylpyridine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;9-methyl-6-propan-2-ylpurine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-ylpyridine-3-carbonitrile;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine;2-propan-2-ylpyrimidine;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID158564707
Molecular FormulaC188H241ClF6N40O11S
Molecular Weight3418.77 g/mol
Exact Mass3415.88
IUPAC NameN-benzyl-2-propan-2-ylpyridine-3-carboxamide;5-chloro-2-propan-2-ylpyridine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;9-methyl-6-propan-2-ylpurine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-ylpyridine-3-carbonitrile;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine;2-propan-2-ylpyrimidine;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N)ncn1.CC(C)c1ccc(C(=O)c2ccccn2)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1nc2ccccc2s1.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1ncccc1C#N.CC(C)c1ncccc1C(=O)N1CCOCC1.CC(C)c1ncccc1C(=O)NCc1ccccc1.CC(C)c1ncccc1C(F)(F)F.CC(C)c1ncccn1.CC(C)c1nccnc1C#N.CC(C)c1ncnc2c1ncn2C.CC(C)c1ncnc2c1ncn2C1CCCCO1.CCOC(=O)c1cc(C)nc(C(C)C)n1.CCOC(=O)c1cnc(C)nc1C(C)C.COCc1cc(C(C)C)nc(-c2ccccc2)n1.Cc1cc(N(C)C)nc(C(C)C)n1.Cc1ccc(C(N)=O)c(C(C)C)n1
InChIInChI=1S/C16H18N2O.C15H18N2O.C14H14N2O.C13H18N4O.C13H18N2O2.2C11H16N2O2.C10H17N3.C10H14N2O.C10H11NS.C9H10F3N.C9H12N4.C9H10N2.C8H10ClN.C8H9F3N2.C8H9N3.C7H11N3.C7H10N2/c1-12(2)15-14(9-6-10-17-15)16(19)18-11-13-7-4-3-5-8-13;1-11(2)14-9-13(10-18-3)16-15(17-14)12-7-5-4-6-8-12;1-10(2)12-7-6-11(9-16-12)14(17)13-5-3-4-8-15-13;1-9(2)11-12-13(15-7-14-11)17(8-16-12)10-5-3-4-6-18-10;1-10(2)12-11(4-3-5-14-12)13(16)15-6-8-17-9-7-15;1-5-15-11(14)9-6-12-8(4)13-10(9)7(2)3;1-5-15-11(14)9-6-8(4)12-10(13-9)7(2)3;1-7(2)10-11-8(3)6-9(12-10)13(4)5;1-6(2)9-8(10(11)13)5-4-7(3)12-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-6(2)7-8-9(11-4-10-7)13(3)5-12-8;1-7(2)9-8(6-10)4-3-5-11-9;1-6(2)8-4-3-7(9)5-10-8;1-5(2)7-12-4-3-6(13-7)8(9,10)11;1-6(2)8-7(5-9)10-3-4-11-8;1-5(2)6-3-7(8)10-4-9-6;1-6(2)7-8-4-3-5-9-7/h3-10,12H,11H2,1-2H3,(H,18,19);4-9,11H,10H2,1-3H3;3-10H,1-2H3;7-10H,3-6H2,1-2H3;3-5,10H,6-9H2,1-2H3;2*6-7H,5H2,1-4H3;6-7H,1-5H3;4-6H,1-3H3,(H2,11,13);3-7H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;3-5,7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3-4,6H,1-2H3;3-5H,1-2H3,(H2,8,9,10);3-6H,1-2H3
InChIKeyHRIAQYYQNIPCCH-UHFFFAOYSA-N
XLogP41.40
TPSA676.15 Ų
H-Bond Donors3
H-Bond Acceptors49
Rotatable Bonds34
Heavy Atoms247
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003418.77
LogP ≤ 541.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1049

Analyze N-benzyl-2-propan-2-ylpyridine-3-carboxamide;5-chloro-2-propan-2-ylpyridine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;9-methyl-6-propan-2-ylpurine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-ylpyridine-3-carbonitrile;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine;2-propan-2-ylpyrimidine;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-benzyl-2-propan-2-ylpyridine-3-carboxamide;2,3-di(propan-2-yl)pyrazine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;9-[(5-methylpyrazin-2-yl)methyl]-6-propan-2-ylpurine;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine
CID 161487012
N-benzyl-2-propan-2-ylpyridine-3-carboxamide;4,5-di(propan-2-yl)pyrimidine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine
CID 161910812

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-propan-2-ylpyridine-3-carboxamide;5-chloro-2-propan-2-ylpyridine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;9-methyl-6-propan-2-ylpurine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-ylpyridine-3-carbonitrile;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine;2-propan-2-ylpyrimidine;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-propan-2-ylpyridine-3-carboxamide;5-chloro-2-propan-2-ylpyridine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;9-methyl-6-propan-2-ylpurine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-ylpyridine-3-carbonitrile;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine;2-propan-2-ylpyrimidine;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine (CID 158564707) is N-benzyl-2-propan-2-ylpyridine-3-carboxamide;5-chloro-2-propan-2-ylpyridine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;9-methyl-6-propan-2-ylpurine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-ylpyridine-3-carbonitrile;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine;2-propan-2-ylpyrimidine;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-propan-2-ylpyridine-3-carboxamide;5-chloro-2-propan-2-ylpyridine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;9-methyl-6-propan-2-ylpurine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-ylpyridine-3-carbonitrile;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine;2-propan-2-ylpyrimidine;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-propan-2-ylpyridine-3-carboxamide;5-chloro-2-propan-2-ylpyridine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;9-methyl-6-propan-2-ylpurine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-ylpyridine-3-carbonitrile;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine;2-propan-2-ylpyrimidine;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(N)ncn1.CC(C)c1ccc(C(=O)c2ccccn2)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1nc2ccccc2s1.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1ncccc1C#N.CC(C)c1ncccc1C(=O)N1CCOCC1.CC(C)c1ncccc1C(=O)NCc1ccccc1.CC(C)c1ncccc1C(F)(F)F.CC(C)c1ncccn1.CC(C)c1nccnc1C#N.CC(C)c1ncnc2c1ncn2C.CC(C)c1ncnc2c1ncn2C1CCCCO1.CCOC(=O)c1cc(C)nc(C(C)C)n1.CCOC(=O)c1cnc(C)nc1C(C)C.COCc1cc(C(C)C)nc(-c2ccccc2)n1.Cc1cc(N(C)C)nc(C(C)C)n1.Cc1ccc(C(N)=O)c(C(C)C)n1.
What is the InChIKey of N-benzyl-2-propan-2-ylpyridine-3-carboxamide;5-chloro-2-propan-2-ylpyridine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;9-methyl-6-propan-2-ylpurine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-ylpyridine-3-carbonitrile;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine;2-propan-2-ylpyrimidine;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is HRIAQYYQNIPCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.C15H18N2O.C14H14N2O.C13H18N4O.C13H18N2O2.2C11H16N2O2.C10H17N3.C10H14N2O.C10H11NS.C9H10F3N.C9H12N4.C9H10N2.C8H10ClN.C8H9F3N2.C8H9N3.C7H11N3.C7H10N2/c1-12(2)15-14(9-6-10-17-15)16(19)18-11-13-7-4-3-5-8-13;1-11(2)14-9-13(10-18-3)16-15(17-14)12-7-5-4-6-8-12;1-10(2)12-7-6-11(9-16-12)14(17)13-5-3-4-8-15-13;1-9(2)11-12-13(15-7-14-11)17(8-16-12)10-5-3-4-6-18-10;1-10(2)12-11(4-3-5-14-12)13(16)15-6-8-17-9-7-15;1-5-15-11(14)9-6-12-8(4)13-10(9)7(2)3;1-5-15-11(14)9-6-8(4)12-10(13-9)7(2)3;1-7(2)10-11-8(3)6-9(12-10)13(4)5;1-6(2)9-8(10(11)13)5-4-7(3)12-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-6(2)7-8-9(11-4-10-7)13(3)5-12-8;1-7(2)9-8(6-10)4-3-5-11-9;1-6(2)8-4-3-7(9)5-10-8;1-5(2)7-12-4-3-6(13-7)8(9,10)11;1-6(2)8-7(5-9)10-3-4-11-8;1-5(2)6-3-7(8)10-4-9-6;1-6(2)7-8-4-3-5-9-7/h3-10,12H,11H2,1-2H3,(H,18,19);4-9,11H,10H2,1-3H3;3-10H,1-2H3;7-10H,3-6H2,1-2H3;3-5,10H,6-9H2,1-2H3;2*6-7H,5H2,1-4H3;6-7H,1-5H3;4-6H,1-3H3,(H2,11,13);3-7H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;3-5,7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3-4,6H,1-2H3;3-5H,1-2H3,(H2,8,9,10);3-6H,1-2H3.
What are the key properties of N-benzyl-2-propan-2-ylpyridine-3-carboxamide;5-chloro-2-propan-2-ylpyridine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;9-methyl-6-propan-2-ylpurine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-ylpyridine-3-carbonitrile;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine;2-propan-2-ylpyrimidine;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine?
N-benzyl-2-propan-2-ylpyridine-3-carboxamide;5-chloro-2-propan-2-ylpyridine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;9-methyl-6-propan-2-ylpurine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-ylpyridine-3-carbonitrile;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine;2-propan-2-ylpyrimidine;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 3418.77 g/mol, XLogP of 41.40, 34 rotatable bonds, 3 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-propan-2-ylpyridine-3-carboxamide;5-chloro-2-propan-2-ylpyridine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;9-methyl-6-propan-2-ylpurine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-ylpyridine-3-carbonitrile;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine;2-propan-2-ylpyrimidine;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 158564707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).