9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;7,8-dimethoxy-4-propan-2-ylquinazoline;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol;6,7,8-trimethoxy-4-propan-2-ylquinazoline

C180H233F2N35O15 — CID 157198342

IUPAC9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;7,8-dimethoxy-4-propan-2-ylquinazoline;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol;6,7,8-trimethoxy-4-propan-2-ylquinazoline
SMILESCC(C)c1ccc(C(=O)N2CCCC2)cn1.CC(C)c1ccc(C(=O)N2CCOCC2)cn1.CC(C)c1nccc(-c2ccccc2CCO)n1.CC(C)c1ncccc1C(=O)c1ccc(C#N)cc1.CC(C)c1ncnc2c1ncn2C(C)C.CC(C)c1ncnc2c1ncn2C1CC1.CC(C)c1ncnc2c1ncn2C1CCCC1.CC(C)c1ncnc2cc(F)ccc12.CCOC(=O)c1cnc(C(C)C)cc1N1CCOCC1.COCCNC(=O)c1ccc(C(C)C)nc1.COc1cc2c(C(C)C)ncnc2c(OC)c1OC.COc1ccc2c(C(C)C)ncnc2c1OC.Cc1cc(C(C)C)nc(N2CCCCC2)n1.Cc1nc(C(C)C)c(C#N)cc1F
InChIInChI=1S/C16H14N2O.C15H22N2O3.C15H18N2O.C14H18N2O3.C13H18N4.C13H21N3.C13H16N2O2.C13H18N2O2.C13H18N2O.C12H18N2O2.C11H11FN2.C11H14N4.C11H16N4.C10H11FN2/c1-11(2)15-14(4-3-9-18-15)16(19)13-7-5-12(10-17)6-8-13;1-4-20-15(18)12-10-16-13(11(2)3)9-14(12)17-5-7-19-8-6-17;1-11(2)15-16-9-7-14(17-15)13-6-4-3-5-12(13)8-10-18;1-8(2)11-9-6-10(17-3)13(18-4)14(19-5)12(9)16-7-15-11;1-9(2)11-12-13(15-7-14-11)17(8-16-12)10-5-3-4-6-10;1-10(2)12-9-11(3)14-13(15-12)16-7-5-4-6-8-16;1-8(2)11-9-5-6-10(16-3)13(17-4)12(9)15-7-14-11;1-10(2)12-4-3-11(9-14-12)13(16)15-5-7-17-8-6-15;1-10(2)12-6-5-11(9-14-12)13(16)15-7-3-4-8-15;1-9(2)11-5-4-10(8-14-11)12(15)13-6-7-16-3;1-7(2)11-9-4-3-8(12)5-10(9)13-6-14-11;1-7(2)9-10-11(13-5-12-9)15(6-14-10)8-3-4-8;1-7(2)9-10-11(13-5-12-9)15(6-14-10)8(3)4;1-6(2)10-8(5-12)4-9(11)7(3)13-10/h3-9,11H,1-2H3;9-11H,4-8H2,1-3H3;3-7,9,11,18H,8,10H2,1-2H3;6-8H,1-5H3;7-10H,3-6H2,1-2H3;9-10H,4-8H2,1-3H3;5-8H,1-4H3;3-4,9-10H,5-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;4-5,8-9H,6-7H2,1-3H3,(H,13,15);3-7H,1-2H3;5-8H,3-4H2,1-2H3;5-8H,1-4H3;4,6H,1-3H3
InChIKeyAQMVUWXRWRPUAD-UHFFFAOYSA-N
MW3165.07 g/mol
LogP35.77
Rot. Bonds37

About 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;7,8-dimethoxy-4-propan-2-ylquinazoline;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol;6,7,8-trimethoxy-4-propan-2-ylquinazoline

9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;7,8-dimethoxy-4-propan-2-ylquinazoline;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol;6,7,8-trimethoxy-4-propan-2-ylquinazoline (PubChem CID 157198342) has the molecular formula C180H233F2N35O15 and a molecular weight of 3165.07 g/mol. Its IUPAC name is 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;7,8-dimethoxy-4-propan-2-ylquinazoline;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol;6,7,8-trimethoxy-4-propan-2-ylquinazoline.

Molecular Properties

Compound Name9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;7,8-dimethoxy-4-propan-2-ylquinazoline;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol;6,7,8-trimethoxy-4-propan-2-ylquinazoline
PubChem CID157198342
Molecular FormulaC180H233F2N35O15
Molecular Weight3165.07 g/mol
Exact Mass3162.85
IUPAC Name9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;7,8-dimethoxy-4-propan-2-ylquinazoline;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol;6,7,8-trimethoxy-4-propan-2-ylquinazoline
SMILESCC(C)c1ccc(C(=O)N2CCCC2)cn1.CC(C)c1ccc(C(=O)N2CCOCC2)cn1.CC(C)c1nccc(-c2ccccc2CCO)n1.CC(C)c1ncccc1C(=O)c1ccc(C#N)cc1.CC(C)c1ncnc2c1ncn2C(C)C.CC(C)c1ncnc2c1ncn2C1CC1.CC(C)c1ncnc2c1ncn2C1CCCC1.CC(C)c1ncnc2cc(F)ccc12.CCOC(=O)c1cnc(C(C)C)cc1N1CCOCC1.COCCNC(=O)c1ccc(C(C)C)nc1.COc1cc2c(C(C)C)ncnc2c(OC)c1OC.COc1ccc2c(C(C)C)ncnc2c1OC.Cc1cc(C(C)C)nc(N2CCCCC2)n1.Cc1nc(C(C)C)c(C#N)cc1F
InChIInChI=1S/C16H14N2O.C15H22N2O3.C15H18N2O.C14H18N2O3.C13H18N4.C13H21N3.C13H16N2O2.C13H18N2O2.C13H18N2O.C12H18N2O2.C11H11FN2.C11H14N4.C11H16N4.C10H11FN2/c1-11(2)15-14(4-3-9-18-15)16(19)13-7-5-12(10-17)6-8-13;1-4-20-15(18)12-10-16-13(11(2)3)9-14(12)17-5-7-19-8-6-17;1-11(2)15-16-9-7-14(17-15)13-6-4-3-5-12(13)8-10-18;1-8(2)11-9-6-10(17-3)13(18-4)14(19-5)12(9)16-7-15-11;1-9(2)11-12-13(15-7-14-11)17(8-16-12)10-5-3-4-6-10;1-10(2)12-9-11(3)14-13(15-12)16-7-5-4-6-8-16;1-8(2)11-9-5-6-10(16-3)13(17-4)12(9)15-7-14-11;1-10(2)12-4-3-11(9-14-12)13(16)15-5-7-17-8-6-15;1-10(2)12-6-5-11(9-14-12)13(16)15-7-3-4-8-15;1-9(2)11-5-4-10(8-14-11)12(15)13-6-7-16-3;1-7(2)11-9-4-3-8(12)5-10(9)13-6-14-11;1-7(2)9-10-11(13-5-12-9)15(6-14-10)8-3-4-8;1-7(2)9-10-11(13-5-12-9)15(6-14-10)8(3)4;1-6(2)10-8(5-12)4-9(11)7(3)13-10/h3-9,11H,1-2H3;9-11H,4-8H2,1-3H3;3-7,9,11,18H,8,10H2,1-2H3;6-8H,1-5H3;7-10H,3-6H2,1-2H3;9-10H,4-8H2,1-3H3;5-8H,1-4H3;3-4,9-10H,5-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;4-5,8-9H,6-7H2,1-3H3,(H,13,15);3-7H,1-2H3;5-8H,3-4H2,1-2H3;5-8H,1-4H3;4,6H,1-3H3
InChIKeyAQMVUWXRWRPUAD-UHFFFAOYSA-N
XLogP35.77
TPSA598.26 Ų
H-Bond Donors2
H-Bond Acceptors47
Rotatable Bonds37
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003165.07
LogP ≤ 535.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

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

Analyze 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;7,8-dimethoxy-4-propan-2-ylquinazoline;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol;6,7,8-trimethoxy-4-propan-2-ylquinazoline with MolForge

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Launch Full Analysis

Related Compounds

4-amino-2-propan-2-ylpyrimidine-5-carbonitrile;5-bromo-2-propan-2-ylpyrimidine;6,7-dimethoxy-2-propan-2-ylquinazolin-4-amine;7,8-dimethoxy-4-propan-2-ylquinazoline;2,5-dimethyl-3-propan-2-ylpyrazine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylphthalazine;2-methyl-6-propan-2-ylpyrimidin-4-amine;6-propan-2-yl-7H-purin-2-amine;2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-ylquinoxaline;6,7,8-trimethoxy-4-propan-2-ylquinazoline
CID 159691727
1-[4-[2-[(3-Cyano-6-methoxyquinolin-4-yl)amino]ethyl]phenyl]-3-phenylurea;1-cyclopropyl-3-[4-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea;1-[4-[2-(6,7-dimethoxyquinazolin-4-yl)oxyethyl]phenyl]-3-phenylurea;bis(1-[4-[2-[[7-(dimethylamino)quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea);1-phenyl-3-[4-[2-[(2-pyridin-2-yl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea;bis(1-phenyl-3-[4-[2-[(2-pyridin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea)
CID 160280335
9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;9-(1-methoxybutan-2-yl)-6-propan-2-ylpurine;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;3-(9-methyl-6-propan-2-ylpurin-8-yl)phenol;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol
CID 160981200
9-(4-acridin-9-yl-1-phenylpyrrol-2-yl)acridine;1-(2-aminoethyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxamide;1-[4-(2-aminopyrimidin-4-yl)-2-phenylcyclopenta-1,4-dien-1-yl]ethanone;carbon dioxide;ethyl 5-(2-aminopyrimidin-4-yl)-1-ethyl-2-phenylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylic acid;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline;1-[4-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]ethanone
CID 161325464
9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;6,9-di(propan-2-yl)purine;7-fluoro-4-propan-2-ylquinazoline;9-(1-methoxybutan-2-yl)-6-propan-2-ylpurine;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;3-(9-methyl-6-propan-2-ylpurin-8-yl)phenol;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;9-(2-piperidin-1-ylethyl)-6-propan-2-ylpurine;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol
CID 161893489
[(3R)-3-aminopiperidin-1-yl]-[2-(1-benzylindol-2-yl)-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5,6-dimethoxyindol-2-yl]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-methoxyphenyl)methyl]indol-2-yl]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-3-ylmethyl)indol-2-yl]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone
CID 163495086

Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;7,8-dimethoxy-4-propan-2-ylquinazoline;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol;6,7,8-trimethoxy-4-propan-2-ylquinazoline?
The IUPAC name of 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;7,8-dimethoxy-4-propan-2-ylquinazoline;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol;6,7,8-trimethoxy-4-propan-2-ylquinazoline (CID 157198342) is 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;7,8-dimethoxy-4-propan-2-ylquinazoline;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol;6,7,8-trimethoxy-4-propan-2-ylquinazoline.
What is the SMILES notation for 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;7,8-dimethoxy-4-propan-2-ylquinazoline;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol;6,7,8-trimethoxy-4-propan-2-ylquinazoline?
The canonical SMILES for 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;7,8-dimethoxy-4-propan-2-ylquinazoline;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol;6,7,8-trimethoxy-4-propan-2-ylquinazoline is CC(C)c1ccc(C(=O)N2CCCC2)cn1.CC(C)c1ccc(C(=O)N2CCOCC2)cn1.CC(C)c1nccc(-c2ccccc2CCO)n1.CC(C)c1ncccc1C(=O)c1ccc(C#N)cc1.CC(C)c1ncnc2c1ncn2C(C)C.CC(C)c1ncnc2c1ncn2C1CC1.CC(C)c1ncnc2c1ncn2C1CCCC1.CC(C)c1ncnc2cc(F)ccc12.CCOC(=O)c1cnc(C(C)C)cc1N1CCOCC1.COCCNC(=O)c1ccc(C(C)C)nc1.COc1cc2c(C(C)C)ncnc2c(OC)c1OC.COc1ccc2c(C(C)C)ncnc2c1OC.Cc1cc(C(C)C)nc(N2CCCCC2)n1.Cc1nc(C(C)C)c(C#N)cc1F.
What is the InChIKey of 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;7,8-dimethoxy-4-propan-2-ylquinazoline;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol;6,7,8-trimethoxy-4-propan-2-ylquinazoline?
The InChIKey is AQMVUWXRWRPUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O.C15H22N2O3.C15H18N2O.C14H18N2O3.C13H18N4.C13H21N3.C13H16N2O2.C13H18N2O2.C13H18N2O.C12H18N2O2.C11H11FN2.C11H14N4.C11H16N4.C10H11FN2/c1-11(2)15-14(4-3-9-18-15)16(19)13-7-5-12(10-17)6-8-13;1-4-20-15(18)12-10-16-13(11(2)3)9-14(12)17-5-7-19-8-6-17;1-11(2)15-16-9-7-14(17-15)13-6-4-3-5-12(13)8-10-18;1-8(2)11-9-6-10(17-3)13(18-4)14(19-5)12(9)16-7-15-11;1-9(2)11-12-13(15-7-14-11)17(8-16-12)10-5-3-4-6-10;1-10(2)12-9-11(3)14-13(15-12)16-7-5-4-6-8-16;1-8(2)11-9-5-6-10(16-3)13(17-4)12(9)15-7-14-11;1-10(2)12-4-3-11(9-14-12)13(16)15-5-7-17-8-6-15;1-10(2)12-6-5-11(9-14-12)13(16)15-7-3-4-8-15;1-9(2)11-5-4-10(8-14-11)12(15)13-6-7-16-3;1-7(2)11-9-4-3-8(12)5-10(9)13-6-14-11;1-7(2)9-10-11(13-5-12-9)15(6-14-10)8-3-4-8;1-7(2)9-10-11(13-5-12-9)15(6-14-10)8(3)4;1-6(2)10-8(5-12)4-9(11)7(3)13-10/h3-9,11H,1-2H3;9-11H,4-8H2,1-3H3;3-7,9,11,18H,8,10H2,1-2H3;6-8H,1-5H3;7-10H,3-6H2,1-2H3;9-10H,4-8H2,1-3H3;5-8H,1-4H3;3-4,9-10H,5-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;4-5,8-9H,6-7H2,1-3H3,(H,13,15);3-7H,1-2H3;5-8H,3-4H2,1-2H3;5-8H,1-4H3;4,6H,1-3H3.
What are the key properties of 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;7,8-dimethoxy-4-propan-2-ylquinazoline;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol;6,7,8-trimethoxy-4-propan-2-ylquinazoline?
9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;7,8-dimethoxy-4-propan-2-ylquinazoline;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol;6,7,8-trimethoxy-4-propan-2-ylquinazoline has a molecular weight of 3165.07 g/mol, XLogP of 35.77, 37 rotatable bonds, 2 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;7,8-dimethoxy-4-propan-2-ylquinazoline;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol;6,7,8-trimethoxy-4-propan-2-ylquinazoline is sourced from PubChem (CID 157198342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).