N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;N,5-di(propan-2-yl)pyrimidin-2-amine;2-ethoxy-5-propan-2-ylpyrimidine;2-ethyl-5-propan-2-ylpyrimidine;3-fluoro-5-propan-2-ylpyridine;2-[1-(2-methoxyethyl)piperidin-4-yl]-5-propan-2-ylpyridine;N-(2-methoxyethyl)-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;2-piperidin-4-yl-5-propan-2-ylpyridine;2-(4-propan-2-ylpyrazol-1-yl)acetamide;1-(4-propan-2-ylpyrazol-1-yl)butan-2-one;4-(4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol;5-propan-2-ylpyridine-3-carbonitrile;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine-2-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)morpholine;3-propan-2-yl-5-(trifluoromethyl)pyridine

C211H323F4N47O13S — CID 163670312

IUPACN,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;N,5-di(propan-2-yl)pyrimidin-2-amine;2-ethoxy-5-propan-2-ylpyrimidine;2-ethyl-5-propan-2-ylpyrimidine;3-fluoro-5-propan-2-ylpyridine;2-[1-(2-methoxyethyl)piperidin-4-yl]-5-propan-2-ylpyridine;N-(2-methoxyethyl)-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;2-piperidin-4-yl-5-propan-2-ylpyridine;2-(4-propan-2-ylpyrazol-1-yl)acetamide;1-(4-propan-2-ylpyrazol-1-yl)butan-2-one;4-(4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol;5-propan-2-ylpyridine-3-carbonitrile;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine-2-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)morpholine;3-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(C)Nc1ncc(C(C)C)cn1.CC(C)c1ccc(C2CCNCC2)nc1.CC(C)c1ccc(CN2CCOCC2)nc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1cnc(C#N)nc1.CC(C)c1cnc(N(C)C)nc1.CC(C)c1cnc(N2CCOCC2)nc1.CC(C)c1cncc(C#N)c1.CC(C)c1cncc(C(F)(F)F)c1.CC(C)c1cncc(F)c1.CC(C)c1cnn(C2CCC(O)CC2)c1.CC(C)c1cnn(CC(=O)N(C)C)c1.CC(C)c1cnn(CC(N)=O)c1.CC(C)c1cnn(CCS(C)(=O)=O)c1.CCC(=O)Cn1cc(C(C)C)cn1.CCOc1ncc(C(C)C)cn1.CCc1ncc(C(C)C)cn1.COCCN1CCC(c2ccc(C(C)C)cn2)CC1.COCCNc1ncc(C(C)C)cn1.COc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C16H26N2O.C13H20N2O.C13H20N2.C12H20N2O.C12H18N2O.C11H17N3O.2C10H17N3O.C10H17N3.C10H16N2O.C9H10F3N.C9H15N3.C9H16N2O2S.C9H14N2O.C9H10N2.C9H14N2.C8H10FN.C8H13N3O.C8H9N3.C8H12N2O.C8H12N2/c1-13(2)15-4-5-16(17-12-15)14-6-8-18(9-7-14)10-11-19-3;1-11(2)12-3-4-13(14-9-12)10-15-5-7-16-8-6-15;1-10(2)12-3-4-13(15-9-12)11-5-7-14-8-6-11;1-9(2)10-7-13-14(8-10)11-3-5-12(15)6-4-11;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-9(2)10-7-12-11(13-8-10)14-3-5-15-6-4-14;1-8(2)9-5-11-13(6-9)7-10(14)12(3)4;1-8(2)9-6-12-10(13-7-9)11-4-5-14-3;1-7(2)9-5-11-10(12-6-9)13-8(3)4;1-4-10(13)7-12-6-9(5-11-12)8(2)3;1-6(2)7-3-8(5-13-4-7)9(10,11)12;1-7(2)8-5-10-9(11-6-8)12(3)4;1-8(2)9-6-10-11(7-9)4-5-14(3,12)13;1-4-12-9-10-5-8(6-11-9)7(2)3;1-7(2)9-3-8(4-10)5-11-6-9;1-4-9-10-5-8(6-11-9)7(2)3;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-10-11(4-7)5-8(9)12;1-6(2)7-4-10-8(3-9)11-5-7;1-6(2)7-4-9-8(11-3)10-5-7;1-6(2)8-4-9-7(3)10-5-8/h4-5,12-14H,6-11H2,1-3H3;3-4,9,11H,5-8,10H2,1-2H3;3-4,9-11,14H,5-8H2,1-2H3;7-9,11-12,15H,3-6H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;7-9H,3-6H2,1-2H3;5-6,8H,7H2,1-4H3;6-8H,4-5H2,1-3H3,(H,11,12,13);5-8H,1-4H3,(H,11,12,13);5-6,8H,4,7H2,1-3H3;3-6H,1-2H3;5-7H,1-4H3;6-8H,4-5H2,1-3H3;5-7H,4H2,1-3H3;3,5-7H,1-2H3;5-7H,4H2,1-3H3;3-6H,1-2H3;3-4,6H,5H2,1-2H3,(H2,9,12);4-6H,1-2H3;4-6H,1-3H3;4-6H,1-3H3
InChIKeyJBYPMKCKYJHLMH-UHFFFAOYSA-N
MW3834.28 g/mol
LogP40.86
Rot. Bonds52

About N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;N,5-di(propan-2-yl)pyrimidin-2-amine;2-ethoxy-5-propan-2-ylpyrimidine;2-ethyl-5-propan-2-ylpyrimidine;3-fluoro-5-propan-2-ylpyridine;2-[1-(2-methoxyethyl)piperidin-4-yl]-5-propan-2-ylpyridine;N-(2-methoxyethyl)-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;2-piperidin-4-yl-5-propan-2-ylpyridine;2-(4-propan-2-ylpyrazol-1-yl)acetamide;1-(4-propan-2-ylpyrazol-1-yl)butan-2-one;4-(4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol;5-propan-2-ylpyridine-3-carbonitrile;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine-2-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)morpholine;3-propan-2-yl-5-(trifluoromethyl)pyridine

N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;N,5-di(propan-2-yl)pyrimidin-2-amine;2-ethoxy-5-propan-2-ylpyrimidine;2-ethyl-5-propan-2-ylpyrimidine;3-fluoro-5-propan-2-ylpyridine;2-[1-(2-methoxyethyl)piperidin-4-yl]-5-propan-2-ylpyridine;N-(2-methoxyethyl)-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;2-piperidin-4-yl-5-propan-2-ylpyridine;2-(4-propan-2-ylpyrazol-1-yl)acetamide;1-(4-propan-2-ylpyrazol-1-yl)butan-2-one;4-(4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol;5-propan-2-ylpyridine-3-carbonitrile;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine-2-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)morpholine;3-propan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 163670312) has the molecular formula C211H323F4N47O13S and a molecular weight of 3834.28 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;N,5-di(propan-2-yl)pyrimidin-2-amine;2-ethoxy-5-propan-2-ylpyrimidine;2-ethyl-5-propan-2-ylpyrimidine;3-fluoro-5-propan-2-ylpyridine;2-[1-(2-methoxyethyl)piperidin-4-yl]-5-propan-2-ylpyridine;N-(2-methoxyethyl)-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;2-piperidin-4-yl-5-propan-2-ylpyridine;2-(4-propan-2-ylpyrazol-1-yl)acetamide;1-(4-propan-2-ylpyrazol-1-yl)butan-2-one;4-(4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol;5-propan-2-ylpyridine-3-carbonitrile;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine-2-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)morpholine;3-propan-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;N,5-di(propan-2-yl)pyrimidin-2-amine;2-ethoxy-5-propan-2-ylpyrimidine;2-ethyl-5-propan-2-ylpyrimidine;3-fluoro-5-propan-2-ylpyridine;2-[1-(2-methoxyethyl)piperidin-4-yl]-5-propan-2-ylpyridine;N-(2-methoxyethyl)-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;2-piperidin-4-yl-5-propan-2-ylpyridine;2-(4-propan-2-ylpyrazol-1-yl)acetamide;1-(4-propan-2-ylpyrazol-1-yl)butan-2-one;4-(4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol;5-propan-2-ylpyridine-3-carbonitrile;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine-2-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)morpholine;3-propan-2-yl-5-(trifluoromethyl)pyridine
PubChem CID163670312
Molecular FormulaC211H323F4N47O13S
Molecular Weight3834.28 g/mol
Exact Mass3831.57
IUPAC NameN,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;N,5-di(propan-2-yl)pyrimidin-2-amine;2-ethoxy-5-propan-2-ylpyrimidine;2-ethyl-5-propan-2-ylpyrimidine;3-fluoro-5-propan-2-ylpyridine;2-[1-(2-methoxyethyl)piperidin-4-yl]-5-propan-2-ylpyridine;N-(2-methoxyethyl)-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;2-piperidin-4-yl-5-propan-2-ylpyridine;2-(4-propan-2-ylpyrazol-1-yl)acetamide;1-(4-propan-2-ylpyrazol-1-yl)butan-2-one;4-(4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol;5-propan-2-ylpyridine-3-carbonitrile;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine-2-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)morpholine;3-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(C)Nc1ncc(C(C)C)cn1.CC(C)c1ccc(C2CCNCC2)nc1.CC(C)c1ccc(CN2CCOCC2)nc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1cnc(C#N)nc1.CC(C)c1cnc(N(C)C)nc1.CC(C)c1cnc(N2CCOCC2)nc1.CC(C)c1cncc(C#N)c1.CC(C)c1cncc(C(F)(F)F)c1.CC(C)c1cncc(F)c1.CC(C)c1cnn(C2CCC(O)CC2)c1.CC(C)c1cnn(CC(=O)N(C)C)c1.CC(C)c1cnn(CC(N)=O)c1.CC(C)c1cnn(CCS(C)(=O)=O)c1.CCC(=O)Cn1cc(C(C)C)cn1.CCOc1ncc(C(C)C)cn1.CCc1ncc(C(C)C)cn1.COCCN1CCC(c2ccc(C(C)C)cn2)CC1.COCCNc1ncc(C(C)C)cn1.COc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C16H26N2O.C13H20N2O.C13H20N2.C12H20N2O.C12H18N2O.C11H17N3O.2C10H17N3O.C10H17N3.C10H16N2O.C9H10F3N.C9H15N3.C9H16N2O2S.C9H14N2O.C9H10N2.C9H14N2.C8H10FN.C8H13N3O.C8H9N3.C8H12N2O.C8H12N2/c1-13(2)15-4-5-16(17-12-15)14-6-8-18(9-7-14)10-11-19-3;1-11(2)12-3-4-13(14-9-12)10-15-5-7-16-8-6-15;1-10(2)12-3-4-13(15-9-12)11-5-7-14-8-6-11;1-9(2)10-7-13-14(8-10)11-3-5-12(15)6-4-11;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-9(2)10-7-12-11(13-8-10)14-3-5-15-6-4-14;1-8(2)9-5-11-13(6-9)7-10(14)12(3)4;1-8(2)9-6-12-10(13-7-9)11-4-5-14-3;1-7(2)9-5-11-10(12-6-9)13-8(3)4;1-4-10(13)7-12-6-9(5-11-12)8(2)3;1-6(2)7-3-8(5-13-4-7)9(10,11)12;1-7(2)8-5-10-9(11-6-8)12(3)4;1-8(2)9-6-10-11(7-9)4-5-14(3,12)13;1-4-12-9-10-5-8(6-11-9)7(2)3;1-7(2)9-3-8(4-10)5-11-6-9;1-4-9-10-5-8(6-11-9)7(2)3;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-10-11(4-7)5-8(9)12;1-6(2)7-4-10-8(3-9)11-5-7;1-6(2)7-4-9-8(11-3)10-5-7;1-6(2)8-4-9-7(3)10-5-8/h4-5,12-14H,6-11H2,1-3H3;3-4,9,11H,5-8,10H2,1-2H3;3-4,9-11,14H,5-8H2,1-2H3;7-9,11-12,15H,3-6H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;7-9H,3-6H2,1-2H3;5-6,8H,7H2,1-4H3;6-8H,4-5H2,1-3H3,(H,11,12,13);5-8H,1-4H3,(H,11,12,13);5-6,8H,4,7H2,1-3H3;3-6H,1-2H3;5-7H,1-4H3;6-8H,4-5H2,1-3H3;5-7H,4H2,1-3H3;3,5-7H,1-2H3;5-7H,4H2,1-3H3;3-6H,1-2H3;3-4,6H,5H2,1-2H3,(H2,9,12);4-6H,1-2H3;4-6H,1-3H3;4-6H,1-3H3
InChIKeyJBYPMKCKYJHLMH-UHFFFAOYSA-N
XLogP40.86
TPSA710.67 Ų
H-Bond Donors5
H-Bond Acceptors58
Rotatable Bonds52
Heavy Atoms276
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003834.28
LogP ≤ 540.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;N,5-di(propan-2-yl)pyrimidin-2-amine;2-ethoxy-5-propan-2-ylpyrimidine;2-ethyl-5-propan-2-ylpyrimidine;3-fluoro-5-propan-2-ylpyridine;2-[1-(2-methoxyethyl)piperidin-4-yl]-5-propan-2-ylpyridine;N-(2-methoxyethyl)-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;2-piperidin-4-yl-5-propan-2-ylpyridine;2-(4-propan-2-ylpyrazol-1-yl)acetamide;1-(4-propan-2-ylpyrazol-1-yl)butan-2-one;4-(4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol;5-propan-2-ylpyridine-3-carbonitrile;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine-2-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)morpholine;3-propan-2-yl-5-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-methylpyrimidine;1-(difluoromethyl)-2-methylidene-5-propan-2-ylpyridine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2,3-dimethyl-5-propan-2-ylpyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpyrazole;1-ethyl-2-methylidene-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;pentakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol
CID 162257595
N,N-diethyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,3-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine-3-carbonitrile;3-fluoro-2-methyl-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;3-methyl-5-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine;5-propan-2-yl-2H-tetrazole;N,N,4-trimethyl-5-propan-2-ylpyridin-2-amine
CID 159870732
tert-butyl 4-[5-[3-cyano-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 140882198
1-tert-butyl-4-methylpyrazole;2-chloro-4-propan-2-ylpyridine;N-cyclopropyl-5-propan-2-ylpyridine-2-carboxamide;2-fluoro-N-methyl-4-propan-2-ylbenzamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tetrakis(2-methyl-5-propan-2-ylpyridine);2-methyl-N-[(5-propan-2-yl-2-pyridinyl)methyl]propanamide;2-methyl-5-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine
CID 158856404
[4-amino-2-[[1-(2-methylsulfonylethyl)piperidin-4-yl]amino]pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone;[4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 158051535
3-tert-butylbenzamide;1-[(4-tert-butyl-2-chlorophenyl)methyl]-4-methylpiperazine;1-[(4-tert-butyl-2-chlorophenyl)methyl]pyrrolidine;4-(4-tert-butyl-2,6-difluorophenyl)piperidine;5-(5-tert-butyl-2-methylphenyl)-1H-imidazole;3-tert-butyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-(3-tert-butylphenyl)piperazin-2-one;1-(4-tert-butylphenyl)piperazin-2-one;4-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine
CID 158176988
4-[5-[3-cyano-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 135150155
N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]piperidin-1-yl]-N-methylpropanamide
CID 175383440
N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methyl-2-[2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]ethoxy]butanamide;methoxyethane
CID 156733390
5-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylpyridine;3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-propan-2-ylpyridine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrimidine;4-[(5-propan-2-ylfuran-2-yl)methyl]morpholine;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;5-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 167699101
2-(azetidin-1-yl)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-3-pyridinyl)morpholine;3-[(3-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(5-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 158627685
anisole;tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;2-(methylamino)ethanol;N-methylaniline;4-methyl-1-(2-methylpropyl)pyrazole;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;(3R)-1-methylpyrrolidin-3-ol;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;propan-2-one;(propan-2-ylideneamino)urea
CID 159233461

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;N,5-di(propan-2-yl)pyrimidin-2-amine;2-ethoxy-5-propan-2-ylpyrimidine;2-ethyl-5-propan-2-ylpyrimidine;3-fluoro-5-propan-2-ylpyridine;2-[1-(2-methoxyethyl)piperidin-4-yl]-5-propan-2-ylpyridine;N-(2-methoxyethyl)-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;2-piperidin-4-yl-5-propan-2-ylpyridine;2-(4-propan-2-ylpyrazol-1-yl)acetamide;1-(4-propan-2-ylpyrazol-1-yl)butan-2-one;4-(4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol;5-propan-2-ylpyridine-3-carbonitrile;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine-2-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)morpholine;3-propan-2-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;N,5-di(propan-2-yl)pyrimidin-2-amine;2-ethoxy-5-propan-2-ylpyrimidine;2-ethyl-5-propan-2-ylpyrimidine;3-fluoro-5-propan-2-ylpyridine;2-[1-(2-methoxyethyl)piperidin-4-yl]-5-propan-2-ylpyridine;N-(2-methoxyethyl)-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;2-piperidin-4-yl-5-propan-2-ylpyridine;2-(4-propan-2-ylpyrazol-1-yl)acetamide;1-(4-propan-2-ylpyrazol-1-yl)butan-2-one;4-(4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol;5-propan-2-ylpyridine-3-carbonitrile;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine-2-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)morpholine;3-propan-2-yl-5-(trifluoromethyl)pyridine (CID 163670312) is N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;N,5-di(propan-2-yl)pyrimidin-2-amine;2-ethoxy-5-propan-2-ylpyrimidine;2-ethyl-5-propan-2-ylpyrimidine;3-fluoro-5-propan-2-ylpyridine;2-[1-(2-methoxyethyl)piperidin-4-yl]-5-propan-2-ylpyridine;N-(2-methoxyethyl)-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;2-piperidin-4-yl-5-propan-2-ylpyridine;2-(4-propan-2-ylpyrazol-1-yl)acetamide;1-(4-propan-2-ylpyrazol-1-yl)butan-2-one;4-(4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol;5-propan-2-ylpyridine-3-carbonitrile;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine-2-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)morpholine;3-propan-2-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;N,5-di(propan-2-yl)pyrimidin-2-amine;2-ethoxy-5-propan-2-ylpyrimidine;2-ethyl-5-propan-2-ylpyrimidine;3-fluoro-5-propan-2-ylpyridine;2-[1-(2-methoxyethyl)piperidin-4-yl]-5-propan-2-ylpyridine;N-(2-methoxyethyl)-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;2-piperidin-4-yl-5-propan-2-ylpyridine;2-(4-propan-2-ylpyrazol-1-yl)acetamide;1-(4-propan-2-ylpyrazol-1-yl)butan-2-one;4-(4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol;5-propan-2-ylpyridine-3-carbonitrile;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine-2-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)morpholine;3-propan-2-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;N,5-di(propan-2-yl)pyrimidin-2-amine;2-ethoxy-5-propan-2-ylpyrimidine;2-ethyl-5-propan-2-ylpyrimidine;3-fluoro-5-propan-2-ylpyridine;2-[1-(2-methoxyethyl)piperidin-4-yl]-5-propan-2-ylpyridine;N-(2-methoxyethyl)-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;2-piperidin-4-yl-5-propan-2-ylpyridine;2-(4-propan-2-ylpyrazol-1-yl)acetamide;1-(4-propan-2-ylpyrazol-1-yl)butan-2-one;4-(4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol;5-propan-2-ylpyridine-3-carbonitrile;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine-2-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)morpholine;3-propan-2-yl-5-(trifluoromethyl)pyridine is CC(C)Nc1ncc(C(C)C)cn1.CC(C)c1ccc(C2CCNCC2)nc1.CC(C)c1ccc(CN2CCOCC2)nc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1cnc(C#N)nc1.CC(C)c1cnc(N(C)C)nc1.CC(C)c1cnc(N2CCOCC2)nc1.CC(C)c1cncc(C#N)c1.CC(C)c1cncc(C(F)(F)F)c1.CC(C)c1cncc(F)c1.CC(C)c1cnn(C2CCC(O)CC2)c1.CC(C)c1cnn(CC(=O)N(C)C)c1.CC(C)c1cnn(CC(N)=O)c1.CC(C)c1cnn(CCS(C)(=O)=O)c1.CCC(=O)Cn1cc(C(C)C)cn1.CCOc1ncc(C(C)C)cn1.CCc1ncc(C(C)C)cn1.COCCN1CCC(c2ccc(C(C)C)cn2)CC1.COCCNc1ncc(C(C)C)cn1.COc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.
What is the InChIKey of N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;N,5-di(propan-2-yl)pyrimidin-2-amine;2-ethoxy-5-propan-2-ylpyrimidine;2-ethyl-5-propan-2-ylpyrimidine;3-fluoro-5-propan-2-ylpyridine;2-[1-(2-methoxyethyl)piperidin-4-yl]-5-propan-2-ylpyridine;N-(2-methoxyethyl)-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;2-piperidin-4-yl-5-propan-2-ylpyridine;2-(4-propan-2-ylpyrazol-1-yl)acetamide;1-(4-propan-2-ylpyrazol-1-yl)butan-2-one;4-(4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol;5-propan-2-ylpyridine-3-carbonitrile;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine-2-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)morpholine;3-propan-2-yl-5-(trifluoromethyl)pyridine?
The InChIKey is JBYPMKCKYJHLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.C13H20N2O.C13H20N2.C12H20N2O.C12H18N2O.C11H17N3O.2C10H17N3O.C10H17N3.C10H16N2O.C9H10F3N.C9H15N3.C9H16N2O2S.C9H14N2O.C9H10N2.C9H14N2.C8H10FN.C8H13N3O.C8H9N3.C8H12N2O.C8H12N2/c1-13(2)15-4-5-16(17-12-15)14-6-8-18(9-7-14)10-11-19-3;1-11(2)12-3-4-13(14-9-12)10-15-5-7-16-8-6-15;1-10(2)12-3-4-13(15-9-12)11-5-7-14-8-6-11;1-9(2)10-7-13-14(8-10)11-3-5-12(15)6-4-11;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-9(2)10-7-12-11(13-8-10)14-3-5-15-6-4-14;1-8(2)9-5-11-13(6-9)7-10(14)12(3)4;1-8(2)9-6-12-10(13-7-9)11-4-5-14-3;1-7(2)9-5-11-10(12-6-9)13-8(3)4;1-4-10(13)7-12-6-9(5-11-12)8(2)3;1-6(2)7-3-8(5-13-4-7)9(10,11)12;1-7(2)8-5-10-9(11-6-8)12(3)4;1-8(2)9-6-10-11(7-9)4-5-14(3,12)13;1-4-12-9-10-5-8(6-11-9)7(2)3;1-7(2)9-3-8(4-10)5-11-6-9;1-4-9-10-5-8(6-11-9)7(2)3;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-10-11(4-7)5-8(9)12;1-6(2)7-4-10-8(3-9)11-5-7;1-6(2)7-4-9-8(11-3)10-5-7;1-6(2)8-4-9-7(3)10-5-8/h4-5,12-14H,6-11H2,1-3H3;3-4,9,11H,5-8,10H2,1-2H3;3-4,9-11,14H,5-8H2,1-2H3;7-9,11-12,15H,3-6H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;7-9H,3-6H2,1-2H3;5-6,8H,7H2,1-4H3;6-8H,4-5H2,1-3H3,(H,11,12,13);5-8H,1-4H3,(H,11,12,13);5-6,8H,4,7H2,1-3H3;3-6H,1-2H3;5-7H,1-4H3;6-8H,4-5H2,1-3H3;5-7H,4H2,1-3H3;3,5-7H,1-2H3;5-7H,4H2,1-3H3;3-6H,1-2H3;3-4,6H,5H2,1-2H3,(H2,9,12);4-6H,1-2H3;4-6H,1-3H3;4-6H,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;N,5-di(propan-2-yl)pyrimidin-2-amine;2-ethoxy-5-propan-2-ylpyrimidine;2-ethyl-5-propan-2-ylpyrimidine;3-fluoro-5-propan-2-ylpyridine;2-[1-(2-methoxyethyl)piperidin-4-yl]-5-propan-2-ylpyridine;N-(2-methoxyethyl)-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;2-piperidin-4-yl-5-propan-2-ylpyridine;2-(4-propan-2-ylpyrazol-1-yl)acetamide;1-(4-propan-2-ylpyrazol-1-yl)butan-2-one;4-(4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol;5-propan-2-ylpyridine-3-carbonitrile;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine-2-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)morpholine;3-propan-2-yl-5-(trifluoromethyl)pyridine?
N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;N,5-di(propan-2-yl)pyrimidin-2-amine;2-ethoxy-5-propan-2-ylpyrimidine;2-ethyl-5-propan-2-ylpyrimidine;3-fluoro-5-propan-2-ylpyridine;2-[1-(2-methoxyethyl)piperidin-4-yl]-5-propan-2-ylpyridine;N-(2-methoxyethyl)-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;2-piperidin-4-yl-5-propan-2-ylpyridine;2-(4-propan-2-ylpyrazol-1-yl)acetamide;1-(4-propan-2-ylpyrazol-1-yl)butan-2-one;4-(4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol;5-propan-2-ylpyridine-3-carbonitrile;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine-2-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)morpholine;3-propan-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 3834.28 g/mol, XLogP of 40.86, 52 rotatable bonds, 5 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;N,5-di(propan-2-yl)pyrimidin-2-amine;2-ethoxy-5-propan-2-ylpyrimidine;2-ethyl-5-propan-2-ylpyrimidine;3-fluoro-5-propan-2-ylpyridine;2-[1-(2-methoxyethyl)piperidin-4-yl]-5-propan-2-ylpyridine;N-(2-methoxyethyl)-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;2-piperidin-4-yl-5-propan-2-ylpyridine;2-(4-propan-2-ylpyrazol-1-yl)acetamide;1-(4-propan-2-ylpyrazol-1-yl)butan-2-one;4-(4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol;5-propan-2-ylpyridine-3-carbonitrile;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine-2-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)morpholine;3-propan-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 163670312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).