2-ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide;4-propan-2-ylpyrimidine-2-carbonitrile;6-propan-2-ylpyrimidine-4-carbonitrile;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene

C185H239F12N25O8S3 — CID 158520187

IUPAC2-ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide;4-propan-2-ylpyrimidine-2-carbonitrile;6-propan-2-ylpyrimidine-4-carbonitrile;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)c1cc(C#N)ncn1.CC(C)c1ccc(-c2ccccn2)s1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1ccnc(C#N)n1.CC(C)c1cnc(-c2ccccc2)cn1.CC(C)c1cnc(N2CCN(C)CC2)cn1.CC(C)c1cnc(N2CCNCC2)cn1.CC(C)c1cnc(N2CCS(=O)(=O)CC2)cn1.CCc1ncc(C(C)C)c(C#N)n1.COC(=O)c1cccc(C(C)C)c1.COC(=O)c1ccccc1C(C)C.CSc1cc(C(C)C)ncn1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C13H14N2.C12H20N4.C12H13NS.C11H18N4.C11H17N3O2S.2C11H14O2.2C10H11F3O.2C10H11F3.C10H13N3.3C10H14.2C8H9N3.C8H12N2S/c1-10(2)12-8-15-13(9-14-12)11-6-4-3-5-7-11;1-10(2)11-8-14-12(9-13-11)16-6-4-15(3)5-7-16;1-9(2)11-6-7-12(14-11)10-5-3-4-8-13-10;1-9(2)10-7-14-11(8-13-10)15-5-3-12-4-6-15;1-9(2)10-7-13-11(8-12-10)14-3-5-17(15,16)6-4-14;1-8(2)9-5-4-6-10(7-9)11(12)13-3;1-8(2)9-6-4-5-7-10(9)11(12)13-3;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-4-10-12-6-8(7(2)3)9(5-11)13-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-3-7(4-9)10-5-11-8;1-6(2)7-3-4-10-8(5-9)11-7;1-6(2)7-4-8(11-3)10-5-9-7/h3-10H,1-2H3;8-10H,4-7H2,1-3H3;3-9H,1-2H3;7-9,12H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;2*4-8H,1-3H3;2*3-7H,1-2H3;2*3-7H,1-2H3;6-7H,4H2,1-3H3;3*4-8H,1-3H3;3,5-6H,1-2H3;3-4,6H,1-2H3;4-6H,1-3H3
InChIKeyHMCVPORKQCFDLU-UHFFFAOYSA-N
MW3265.29 g/mol
LogP47.32
Rot. Bonds29

About 2-ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide;4-propan-2-ylpyrimidine-2-carbonitrile;6-propan-2-ylpyrimidine-4-carbonitrile;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene

2-ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide;4-propan-2-ylpyrimidine-2-carbonitrile;6-propan-2-ylpyrimidine-4-carbonitrile;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 158520187) has the molecular formula C185H239F12N25O8S3 and a molecular weight of 3265.29 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide;4-propan-2-ylpyrimidine-2-carbonitrile;6-propan-2-ylpyrimidine-4-carbonitrile;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide;4-propan-2-ylpyrimidine-2-carbonitrile;6-propan-2-ylpyrimidine-4-carbonitrile;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID158520187
Molecular FormulaC185H239F12N25O8S3
Molecular Weight3265.29 g/mol
Exact Mass3262.80
IUPAC Name2-ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide;4-propan-2-ylpyrimidine-2-carbonitrile;6-propan-2-ylpyrimidine-4-carbonitrile;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)c1cc(C#N)ncn1.CC(C)c1ccc(-c2ccccn2)s1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1ccnc(C#N)n1.CC(C)c1cnc(-c2ccccc2)cn1.CC(C)c1cnc(N2CCN(C)CC2)cn1.CC(C)c1cnc(N2CCNCC2)cn1.CC(C)c1cnc(N2CCS(=O)(=O)CC2)cn1.CCc1ncc(C(C)C)c(C#N)n1.COC(=O)c1cccc(C(C)C)c1.COC(=O)c1ccccc1C(C)C.CSc1cc(C(C)C)ncn1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C13H14N2.C12H20N4.C12H13NS.C11H18N4.C11H17N3O2S.2C11H14O2.2C10H11F3O.2C10H11F3.C10H13N3.3C10H14.2C8H9N3.C8H12N2S/c1-10(2)12-8-15-13(9-14-12)11-6-4-3-5-7-11;1-10(2)11-8-14-12(9-13-11)16-6-4-15(3)5-7-16;1-9(2)11-6-7-12(14-11)10-5-3-4-8-13-10;1-9(2)10-7-14-11(8-13-10)15-5-3-12-4-6-15;1-9(2)10-7-13-11(8-12-10)14-3-5-17(15,16)6-4-14;1-8(2)9-5-4-6-10(7-9)11(12)13-3;1-8(2)9-6-4-5-7-10(9)11(12)13-3;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-4-10-12-6-8(7(2)3)9(5-11)13-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-3-7(4-9)10-5-11-8;1-6(2)7-3-4-10-8(5-9)11-7;1-6(2)7-4-8(11-3)10-5-9-7/h3-10H,1-2H3;8-10H,4-7H2,1-3H3;3-9H,1-2H3;7-9,12H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;2*4-8H,1-3H3;2*3-7H,1-2H3;2*3-7H,1-2H3;6-7H,4H2,1-3H3;3*4-8H,1-3H3;3,5-6H,1-2H3;3-4,6H,1-2H3;4-6H,1-3H3
InChIKeyHMCVPORKQCFDLU-UHFFFAOYSA-N
XLogP47.32
TPSA420.69 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds29
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003265.29
LogP ≤ 547.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Analyze 2-ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide;4-propan-2-ylpyrimidine-2-carbonitrile;6-propan-2-ylpyrimidine-4-carbonitrile;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

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Launch Full Analysis

Related Compounds

2-Ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;4-isocyano-6-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 159169609
2-ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;4-isocyano-6-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;4-propan-2-ylpyrimidine-2-carbonitrile;N-(2-propan-2-ylpyrimidin-5-yl)formamide;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 159419962
2-Ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;2-piperazin-1-yl-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 159789568
3-Fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;methyl 2-(2-propan-2-ylphenoxy)acetate;4-methylsulfanyl-6-propan-2-ylpyrimidine;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;2-piperidin-1-yl-5-propan-2-ylpyrazine;2-(2-propan-2-ylphenoxy)acetamide;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 159913543
3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(furan-3-yl)-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(4-methoxy-3-pyridinyl)-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-thiophen-3-yl-1H-isoindole;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1H-isoindole
CID 161136576
2-ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;2-isocyano-4-methoxy-5-propan-2-ylpyrimidine;bis(2-isocyano-5-propan-2-ylpyrimidine);4-isocyano-6-propan-2-ylpyrimidine;5-isocyano-2-propan-2-ylpyrimidine;2-methoxy-5-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;morpholin-4-yl-(5-propan-2-ylpyrimidin-2-yl)methanone;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;4-propan-2-ylpyrimidine-2-carbonitrile;N-(2-propan-2-ylpyrimidin-5-yl)formamide;N-(5-propan-2-ylpyrimidin-2-yl)formamide;4-(5-propan-2-ylpyrimidin-2-yl)morpholine;2-(5-propan-2-ylthiophen-2-yl)pyridine
CID 158714373
2-ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;2-isocyano-4-methoxy-5-propan-2-ylpyrimidine;2-isocyano-5-propan-2-ylpyrazine;2-isocyano-5-propan-2-ylpyrimidine;4-isocyano-6-propan-2-ylpyrimidine;5-isocyano-2-propan-2-ylpyrimidine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;morpholin-4-yl-(5-propan-2-ylpyrimidin-2-yl)methanone;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;4-propan-2-ylpyrimidine-2-carbonitrile;N-(2-propan-2-ylpyrimidin-5-yl)formamide;N-(5-propan-2-ylpyrimidin-2-yl)formamide;4-(5-propan-2-ylpyrimidin-2-yl)morpholine;2-(5-propan-2-ylthiophen-2-yl)pyridine
CID 160287938
3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-8-(2-methylsulfonyl-4-pyridinyl)-2-phenylisoquinolin-1-one;N-[4-[3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-1-oxo-2-phenylisoquinolin-8-yl]-2-pyridinyl]-N-methylmethanesulfonamide;N-[5-[3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-1-oxo-2-phenylisoquinolin-8-yl]-3-pyridinyl]-N-methylmethanesulfonamide;8-(2-methoxy-4-pyridinyl)-3-[(1S)-1-[(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one
CID 161656908

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide;4-propan-2-ylpyrimidine-2-carbonitrile;6-propan-2-ylpyrimidine-4-carbonitrile;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of 2-ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide;4-propan-2-ylpyrimidine-2-carbonitrile;6-propan-2-ylpyrimidine-4-carbonitrile;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 158520187) is 2-ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide;4-propan-2-ylpyrimidine-2-carbonitrile;6-propan-2-ylpyrimidine-4-carbonitrile;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide;4-propan-2-ylpyrimidine-2-carbonitrile;6-propan-2-ylpyrimidine-4-carbonitrile;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide;4-propan-2-ylpyrimidine-2-carbonitrile;6-propan-2-ylpyrimidine-4-carbonitrile;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene is CC(C)c1cc(C#N)ncn1.CC(C)c1ccc(-c2ccccn2)s1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1ccnc(C#N)n1.CC(C)c1cnc(-c2ccccc2)cn1.CC(C)c1cnc(N2CCN(C)CC2)cn1.CC(C)c1cnc(N2CCNCC2)cn1.CC(C)c1cnc(N2CCS(=O)(=O)CC2)cn1.CCc1ncc(C(C)C)c(C#N)n1.COC(=O)c1cccc(C(C)C)c1.COC(=O)c1ccccc1C(C)C.CSc1cc(C(C)C)ncn1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.
What is the InChIKey of 2-ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide;4-propan-2-ylpyrimidine-2-carbonitrile;6-propan-2-ylpyrimidine-4-carbonitrile;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is HMCVPORKQCFDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C12H20N4.C12H13NS.C11H18N4.C11H17N3O2S.2C11H14O2.2C10H11F3O.2C10H11F3.C10H13N3.3C10H14.2C8H9N3.C8H12N2S/c1-10(2)12-8-15-13(9-14-12)11-6-4-3-5-7-11;1-10(2)11-8-14-12(9-13-11)16-6-4-15(3)5-7-16;1-9(2)11-6-7-12(14-11)10-5-3-4-8-13-10;1-9(2)10-7-14-11(8-13-10)15-5-3-12-4-6-15;1-9(2)10-7-13-11(8-12-10)14-3-5-17(15,16)6-4-14;1-8(2)9-5-4-6-10(7-9)11(12)13-3;1-8(2)9-6-4-5-7-10(9)11(12)13-3;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-4-10-12-6-8(7(2)3)9(5-11)13-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-3-7(4-9)10-5-11-8;1-6(2)7-3-4-10-8(5-9)11-7;1-6(2)7-4-8(11-3)10-5-9-7/h3-10H,1-2H3;8-10H,4-7H2,1-3H3;3-9H,1-2H3;7-9,12H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;2*4-8H,1-3H3;2*3-7H,1-2H3;2*3-7H,1-2H3;6-7H,4H2,1-3H3;3*4-8H,1-3H3;3,5-6H,1-2H3;3-4,6H,1-2H3;4-6H,1-3H3.
What are the key properties of 2-ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide;4-propan-2-ylpyrimidine-2-carbonitrile;6-propan-2-ylpyrimidine-4-carbonitrile;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
2-ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide;4-propan-2-ylpyrimidine-2-carbonitrile;6-propan-2-ylpyrimidine-4-carbonitrile;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 3265.29 g/mol, XLogP of 47.32, 29 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propan-2-ylpyrimidine-4-carbonitrile;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;4-methylsulfanyl-6-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyrazine;2-piperazin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)-1,4-thiazinane 1,1-dioxide;4-propan-2-ylpyrimidine-2-carbonitrile;6-propan-2-ylpyrimidine-4-carbonitrile;2-(5-propan-2-ylthiophen-2-yl)pyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 158520187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).