2-butylpyrimidine;7H-cyclopenta[b]pyridine;N,N-dibutyl-2-(2-methylpropyl)pyrimidin-4-amine;2,3-dimethylimidazo[4,5-b]pyridine;tetradecakis(2,2-dimethylpropane);1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dipropylpyrrolo[2,3-b]pyridine;1H-indole;methane;2-(2-methylpropyl)-4-pentylpyrimidine;2-(2-methylpropyl)pyrimidin-4-amine;2-methylpyrimidine;1-phenylpiperidine;1-propylpyrrolo[2,3-b]pyridine;2-propyl-1,3-thiazole;3H-pyrrolo[3,2-b]pyridine

C201H347N27S — CID 158603761

IUPAC2-butylpyrimidine;7H-cyclopenta[b]pyridine;N,N-dibutyl-2-(2-methylpropyl)pyrimidin-4-amine;2,3-dimethylimidazo[4,5-b]pyridine;tetradecakis(2,2-dimethylpropane);1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dipropylpyrrolo[2,3-b]pyridine;1H-indole;methane;2-(2-methylpropyl)-4-pentylpyrimidine;2-(2-methylpropyl)pyrimidin-4-amine;2-methylpyrimidine;1-phenylpiperidine;1-propylpyrrolo[2,3-b]pyridine;2-propyl-1,3-thiazole;3H-pyrrolo[3,2-b]pyridine
SMILESC.C1=Cc2cccnc2C1.C1=Nc2cccnc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)Cc1nccc(N)n1.CCCCCc1ccnc(CC(C)C)n1.CCCCN(CCCC)c1ccnc(CC(C)C)n1.CCCCc1ncccn1.CCCc1cc2cccnc2n1CCC.CCCc1nccs1.CCCn1ccc2cccnc21.Cc1cc2cccnc2n1C.Cc1nc2cccnc2n1C.Cc1ncccn1.c1ccc(N2CCCCC2)cc1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H29N3.C13H18N2.C13H22N2.C11H15N.C10H12N2.C9H10N2.C8H9N3.C8H13N3.C8H12N2.2C8H7N.C7H6N2.C6H9NS.C5H6N2.14C5H12.CH4/c1-5-7-11-19(12-8-6-2)16-9-10-17-15(18-16)13-14(3)4;1-3-6-12-10-11-7-5-8-14-13(11)15(12)9-4-2;1-4-5-6-7-12-8-9-14-13(15-12)10-11(2)3;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-7-12-8-5-9-4-3-6-11-10(9)12;1-7-6-8-4-3-5-10-9(8)11(7)2;1-6-10-7-4-3-5-9-8(7)11(6)2;1-6(2)5-8-10-4-3-7(9)11-8;1-2-3-5-8-9-6-4-7-10-8;1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(8-4-1)3-5-9-6;1-2-3-6-7-4-5-8-6;1-5-6-3-2-4-7-5;14*1-5(2,3)4;/h9-10,14H,5-8,11-13H2,1-4H3;5,7-8,10H,3-4,6,9H2,1-2H3;8-9,11H,4-7,10H2,1-3H3;1,3-4,7-8H,2,5-6,9-10H2;3-6,8H,2,7H2,1H3;3-6H,1-2H3;3-5H,1-2H3;3-4,6H,5H2,1-2H3,(H2,9,10,11);4,6-7H,2-3,5H2,1H3;1-4,6H,5H2;1-6,9H;1-2,4-5H,3H2;4-5H,2-3H2,1H3;2-4H,1H3;14*1-4H3;1H4
InChIKeyHVYOBJLOSJRDEV-UHFFFAOYSA-N
MW3174.24 g/mol
LogP59.66
Rot. Bonds29

About 2-butylpyrimidine;7H-cyclopenta[b]pyridine;N,N-dibutyl-2-(2-methylpropyl)pyrimidin-4-amine;2,3-dimethylimidazo[4,5-b]pyridine;tetradecakis(2,2-dimethylpropane);1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dipropylpyrrolo[2,3-b]pyridine;1H-indole;methane;2-(2-methylpropyl)-4-pentylpyrimidine;2-(2-methylpropyl)pyrimidin-4-amine;2-methylpyrimidine;1-phenylpiperidine;1-propylpyrrolo[2,3-b]pyridine;2-propyl-1,3-thiazole;3H-pyrrolo[3,2-b]pyridine

2-butylpyrimidine;7H-cyclopenta[b]pyridine;N,N-dibutyl-2-(2-methylpropyl)pyrimidin-4-amine;2,3-dimethylimidazo[4,5-b]pyridine;tetradecakis(2,2-dimethylpropane);1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dipropylpyrrolo[2,3-b]pyridine;1H-indole;methane;2-(2-methylpropyl)-4-pentylpyrimidine;2-(2-methylpropyl)pyrimidin-4-amine;2-methylpyrimidine;1-phenylpiperidine;1-propylpyrrolo[2,3-b]pyridine;2-propyl-1,3-thiazole;3H-pyrrolo[3,2-b]pyridine (PubChem CID 158603761) has the molecular formula C201H347N27S and a molecular weight of 3174.24 g/mol. Its IUPAC name is 2-butylpyrimidine;7H-cyclopenta[b]pyridine;N,N-dibutyl-2-(2-methylpropyl)pyrimidin-4-amine;2,3-dimethylimidazo[4,5-b]pyridine;tetradecakis(2,2-dimethylpropane);1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dipropylpyrrolo[2,3-b]pyridine;1H-indole;methane;2-(2-methylpropyl)-4-pentylpyrimidine;2-(2-methylpropyl)pyrimidin-4-amine;2-methylpyrimidine;1-phenylpiperidine;1-propylpyrrolo[2,3-b]pyridine;2-propyl-1,3-thiazole;3H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-butylpyrimidine;7H-cyclopenta[b]pyridine;N,N-dibutyl-2-(2-methylpropyl)pyrimidin-4-amine;2,3-dimethylimidazo[4,5-b]pyridine;tetradecakis(2,2-dimethylpropane);1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dipropylpyrrolo[2,3-b]pyridine;1H-indole;methane;2-(2-methylpropyl)-4-pentylpyrimidine;2-(2-methylpropyl)pyrimidin-4-amine;2-methylpyrimidine;1-phenylpiperidine;1-propylpyrrolo[2,3-b]pyridine;2-propyl-1,3-thiazole;3H-pyrrolo[3,2-b]pyridine
PubChem CID158603761
Molecular FormulaC201H347N27S
Molecular Weight3174.24 g/mol
Exact Mass3171.77
IUPAC Name2-butylpyrimidine;7H-cyclopenta[b]pyridine;N,N-dibutyl-2-(2-methylpropyl)pyrimidin-4-amine;2,3-dimethylimidazo[4,5-b]pyridine;tetradecakis(2,2-dimethylpropane);1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dipropylpyrrolo[2,3-b]pyridine;1H-indole;methane;2-(2-methylpropyl)-4-pentylpyrimidine;2-(2-methylpropyl)pyrimidin-4-amine;2-methylpyrimidine;1-phenylpiperidine;1-propylpyrrolo[2,3-b]pyridine;2-propyl-1,3-thiazole;3H-pyrrolo[3,2-b]pyridine
SMILESC.C1=Cc2cccnc2C1.C1=Nc2cccnc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)Cc1nccc(N)n1.CCCCCc1ccnc(CC(C)C)n1.CCCCN(CCCC)c1ccnc(CC(C)C)n1.CCCCc1ncccn1.CCCc1cc2cccnc2n1CCC.CCCc1nccs1.CCCn1ccc2cccnc21.Cc1cc2cccnc2n1C.Cc1nc2cccnc2n1C.Cc1ncccn1.c1ccc(N2CCCCC2)cc1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H29N3.C13H18N2.C13H22N2.C11H15N.C10H12N2.C9H10N2.C8H9N3.C8H13N3.C8H12N2.2C8H7N.C7H6N2.C6H9NS.C5H6N2.14C5H12.CH4/c1-5-7-11-19(12-8-6-2)16-9-10-17-15(18-16)13-14(3)4;1-3-6-12-10-11-7-5-8-14-13(11)15(12)9-4-2;1-4-5-6-7-12-8-9-14-13(15-12)10-11(2)3;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-7-12-8-5-9-4-3-6-11-10(9)12;1-7-6-8-4-3-5-10-9(8)11(7)2;1-6-10-7-4-3-5-9-8(7)11(6)2;1-6(2)5-8-10-4-3-7(9)11-8;1-2-3-5-8-9-6-4-7-10-8;1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(8-4-1)3-5-9-6;1-2-3-6-7-4-5-8-6;1-5-6-3-2-4-7-5;14*1-5(2,3)4;/h9-10,14H,5-8,11-13H2,1-4H3;5,7-8,10H,3-4,6,9H2,1-2H3;8-9,11H,4-7,10H2,1-3H3;1,3-4,7-8H,2,5-6,9-10H2;3-6,8H,2,7H2,1H3;3-6H,1-2H3;3-5H,1-2H3;3-4,6H,5H2,1-2H3,(H2,9,10,11);4,6-7H,2-3,5H2,1H3;1-4,6H,5H2;1-6,9H;1-2,4-5H,3H2;4-5H,2-3H2,1H3;2-4H,1H3;14*1-4H3;1H4
InChIKeyHVYOBJLOSJRDEV-UHFFFAOYSA-N
XLogP59.66
TPSA312.39 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds29
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003174.24
LogP ≤ 559.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 2-butylpyrimidine;7H-cyclopenta[b]pyridine;N,N-dibutyl-2-(2-methylpropyl)pyrimidin-4-amine;2,3-dimethylimidazo[4,5-b]pyridine;tetradecakis(2,2-dimethylpropane);1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dipropylpyrrolo[2,3-b]pyridine;1H-indole;methane;2-(2-methylpropyl)-4-pentylpyrimidine;2-(2-methylpropyl)pyrimidin-4-amine;2-methylpyrimidine;1-phenylpiperidine;1-propylpyrrolo[2,3-b]pyridine;2-propyl-1,3-thiazole;3H-pyrrolo[3,2-b]pyridine with MolForge

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Related Compounds

5-[12-[4-(Piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3-thiazole
CID 44546426
US11420970, Example 48
CID 156073407
9-ethyl-2-pyridin-3-yl-N-[[6-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]purin-6-amine
CID 168994758
2-[[4-(4,5,6,8,10-Pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyridin-4-ium
CID 137077444
[1-(2-Phenyl-thiazol-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-amine
CID 117890322
2-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6-[1-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methylamino]ethenyl]pyridine-2,3,4-triamine
CID 89054399
2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
5-tert-butyl-1-methyl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 159439054
5-tert-butyl-1-methyl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 160060630
1-(4H-imidazol-2-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[(1-methylimidazol-2-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(2H-pyrrol-4-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(3H-pyrrol-5-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 160336757
ethane;2-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-(1-oxidopyridin-1-ium-2-yl)-3-propan-2-ylimidazo[4,5-b]pyridine;2-(1,1,2,2,2-pentafluoroethyl)-3-propan-2-ylimidazo[4,5-b]pyridine;2-phenyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione;2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-1,3-thiazole;3-propan-2-yl-2-pyridin-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-2-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 160437943
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;methane
CID 161234517

Frequently Asked Questions

What is the IUPAC name of 2-butylpyrimidine;7H-cyclopenta[b]pyridine;N,N-dibutyl-2-(2-methylpropyl)pyrimidin-4-amine;2,3-dimethylimidazo[4,5-b]pyridine;tetradecakis(2,2-dimethylpropane);1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dipropylpyrrolo[2,3-b]pyridine;1H-indole;methane;2-(2-methylpropyl)-4-pentylpyrimidine;2-(2-methylpropyl)pyrimidin-4-amine;2-methylpyrimidine;1-phenylpiperidine;1-propylpyrrolo[2,3-b]pyridine;2-propyl-1,3-thiazole;3H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-butylpyrimidine;7H-cyclopenta[b]pyridine;N,N-dibutyl-2-(2-methylpropyl)pyrimidin-4-amine;2,3-dimethylimidazo[4,5-b]pyridine;tetradecakis(2,2-dimethylpropane);1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dipropylpyrrolo[2,3-b]pyridine;1H-indole;methane;2-(2-methylpropyl)-4-pentylpyrimidine;2-(2-methylpropyl)pyrimidin-4-amine;2-methylpyrimidine;1-phenylpiperidine;1-propylpyrrolo[2,3-b]pyridine;2-propyl-1,3-thiazole;3H-pyrrolo[3,2-b]pyridine (CID 158603761) is 2-butylpyrimidine;7H-cyclopenta[b]pyridine;N,N-dibutyl-2-(2-methylpropyl)pyrimidin-4-amine;2,3-dimethylimidazo[4,5-b]pyridine;tetradecakis(2,2-dimethylpropane);1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dipropylpyrrolo[2,3-b]pyridine;1H-indole;methane;2-(2-methylpropyl)-4-pentylpyrimidine;2-(2-methylpropyl)pyrimidin-4-amine;2-methylpyrimidine;1-phenylpiperidine;1-propylpyrrolo[2,3-b]pyridine;2-propyl-1,3-thiazole;3H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-butylpyrimidine;7H-cyclopenta[b]pyridine;N,N-dibutyl-2-(2-methylpropyl)pyrimidin-4-amine;2,3-dimethylimidazo[4,5-b]pyridine;tetradecakis(2,2-dimethylpropane);1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dipropylpyrrolo[2,3-b]pyridine;1H-indole;methane;2-(2-methylpropyl)-4-pentylpyrimidine;2-(2-methylpropyl)pyrimidin-4-amine;2-methylpyrimidine;1-phenylpiperidine;1-propylpyrrolo[2,3-b]pyridine;2-propyl-1,3-thiazole;3H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-butylpyrimidine;7H-cyclopenta[b]pyridine;N,N-dibutyl-2-(2-methylpropyl)pyrimidin-4-amine;2,3-dimethylimidazo[4,5-b]pyridine;tetradecakis(2,2-dimethylpropane);1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dipropylpyrrolo[2,3-b]pyridine;1H-indole;methane;2-(2-methylpropyl)-4-pentylpyrimidine;2-(2-methylpropyl)pyrimidin-4-amine;2-methylpyrimidine;1-phenylpiperidine;1-propylpyrrolo[2,3-b]pyridine;2-propyl-1,3-thiazole;3H-pyrrolo[3,2-b]pyridine is C.C1=Cc2cccnc2C1.C1=Nc2cccnc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)Cc1nccc(N)n1.CCCCCc1ccnc(CC(C)C)n1.CCCCN(CCCC)c1ccnc(CC(C)C)n1.CCCCc1ncccn1.CCCc1cc2cccnc2n1CCC.CCCc1nccs1.CCCn1ccc2cccnc21.Cc1cc2cccnc2n1C.Cc1nc2cccnc2n1C.Cc1ncccn1.c1ccc(N2CCCCC2)cc1.c1ccc2[nH]ccc2c1.
What is the InChIKey of 2-butylpyrimidine;7H-cyclopenta[b]pyridine;N,N-dibutyl-2-(2-methylpropyl)pyrimidin-4-amine;2,3-dimethylimidazo[4,5-b]pyridine;tetradecakis(2,2-dimethylpropane);1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dipropylpyrrolo[2,3-b]pyridine;1H-indole;methane;2-(2-methylpropyl)-4-pentylpyrimidine;2-(2-methylpropyl)pyrimidin-4-amine;2-methylpyrimidine;1-phenylpiperidine;1-propylpyrrolo[2,3-b]pyridine;2-propyl-1,3-thiazole;3H-pyrrolo[3,2-b]pyridine?
The InChIKey is HVYOBJLOSJRDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3.C13H18N2.C13H22N2.C11H15N.C10H12N2.C9H10N2.C8H9N3.C8H13N3.C8H12N2.2C8H7N.C7H6N2.C6H9NS.C5H6N2.14C5H12.CH4/c1-5-7-11-19(12-8-6-2)16-9-10-17-15(18-16)13-14(3)4;1-3-6-12-10-11-7-5-8-14-13(11)15(12)9-4-2;1-4-5-6-7-12-8-9-14-13(15-12)10-11(2)3;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-7-12-8-5-9-4-3-6-11-10(9)12;1-7-6-8-4-3-5-10-9(8)11(7)2;1-6-10-7-4-3-5-9-8(7)11(6)2;1-6(2)5-8-10-4-3-7(9)11-8;1-2-3-5-8-9-6-4-7-10-8;1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(8-4-1)3-5-9-6;1-2-3-6-7-4-5-8-6;1-5-6-3-2-4-7-5;14*1-5(2,3)4;/h9-10,14H,5-8,11-13H2,1-4H3;5,7-8,10H,3-4,6,9H2,1-2H3;8-9,11H,4-7,10H2,1-3H3;1,3-4,7-8H,2,5-6,9-10H2;3-6,8H,2,7H2,1H3;3-6H,1-2H3;3-5H,1-2H3;3-4,6H,5H2,1-2H3,(H2,9,10,11);4,6-7H,2-3,5H2,1H3;1-4,6H,5H2;1-6,9H;1-2,4-5H,3H2;4-5H,2-3H2,1H3;2-4H,1H3;14*1-4H3;1H4.
What are the key properties of 2-butylpyrimidine;7H-cyclopenta[b]pyridine;N,N-dibutyl-2-(2-methylpropyl)pyrimidin-4-amine;2,3-dimethylimidazo[4,5-b]pyridine;tetradecakis(2,2-dimethylpropane);1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dipropylpyrrolo[2,3-b]pyridine;1H-indole;methane;2-(2-methylpropyl)-4-pentylpyrimidine;2-(2-methylpropyl)pyrimidin-4-amine;2-methylpyrimidine;1-phenylpiperidine;1-propylpyrrolo[2,3-b]pyridine;2-propyl-1,3-thiazole;3H-pyrrolo[3,2-b]pyridine?
2-butylpyrimidine;7H-cyclopenta[b]pyridine;N,N-dibutyl-2-(2-methylpropyl)pyrimidin-4-amine;2,3-dimethylimidazo[4,5-b]pyridine;tetradecakis(2,2-dimethylpropane);1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dipropylpyrrolo[2,3-b]pyridine;1H-indole;methane;2-(2-methylpropyl)-4-pentylpyrimidine;2-(2-methylpropyl)pyrimidin-4-amine;2-methylpyrimidine;1-phenylpiperidine;1-propylpyrrolo[2,3-b]pyridine;2-propyl-1,3-thiazole;3H-pyrrolo[3,2-b]pyridine has a molecular weight of 3174.24 g/mol, XLogP of 59.66, 29 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylpyrimidine;7H-cyclopenta[b]pyridine;N,N-dibutyl-2-(2-methylpropyl)pyrimidin-4-amine;2,3-dimethylimidazo[4,5-b]pyridine;tetradecakis(2,2-dimethylpropane);1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dipropylpyrrolo[2,3-b]pyridine;1H-indole;methane;2-(2-methylpropyl)-4-pentylpyrimidine;2-(2-methylpropyl)pyrimidin-4-amine;2-methylpyrimidine;1-phenylpiperidine;1-propylpyrrolo[2,3-b]pyridine;2-propyl-1,3-thiazole;3H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 158603761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).