2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;N,N,3-trimethylaniline

C135H176F4N14O9S3 — CID 160804419

About 2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;N,N,3-trimethylaniline

2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;N,N,3-trimethylaniline (PubChem CID 160804419) has the molecular formula C135H176F4N14O9S3 and a molecular weight of 2311.17 g/mol. Its IUPAC name is 2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;N,N,3-trimethylaniline.

Molecular Properties

• Compound Name: 2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;N,N,3-trimethylaniline
• PubChem CID: 160804419
• Molecular Formula: C135H176F4N14O9S3
• Molecular Weight: 2311.17 g/mol
• Exact Mass: 2309.28
• IUPAC Name: 2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;N,N,3-trimethylaniline
• SMILES: COc1cc(C)cs1.Cc1ccc(C(=O)N2CCN(C)CC2)cc1.Cc1ccc(C(=O)N2CCN(CCO)CC2)cc1.Cc1ccc(C(=O)N2CC[C@@H](O)C2)cc1.Cc1ccc(C(C)(C)O)c(F)c1.Cc1ccc(C)s1.Cc1ccc(F)cc1.Cc1ccc(N)cc1.Cc1ccc(N)nc1.Cc1ccc2c(c1)CCO2.Cc1cccc(F)c1.Cc1cccc(N(C)C)c1.Cc1ccccc1F.Cc1cnc(C)nc1.Cc1cnn(CCN2CCOCC2)c1.Cc1csc(C)c1
• InChI: InChI=1S/C14H20N2O2.C13H18N2O.C12H15NO2.C10H13FO.C10H17N3O.C9H13N.C9H10O.3C7H7F.C7H9N.2C6H8N2.C6H8OS.2C6H8S/c1-12-2-4-13(5-3-12)14(18)16-8-6-15(7-9-16)10-11-17;1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15;1-9-2-4-10(5-3-9)12(15)13-7-6-11(14)8-13;1-7-4-5-8(9(11)6-7)10(2,3)12;1-10-8-11-13(9-10)3-2-12-4-6-14-7-5-12;1-8-5-4-6-9(7-8)10(2)3;1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-2-4-7(8)5-3-6;1-5-3-7-6(2)8-4-5;1-5-2-3-6(7)8-4-5;1-5-3-6(7-2)8-4-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5/h2-5,17H,6-11H2,1H3;3-6H,7-10H2,1-2H3;2-5,11,14H,6-8H2,1H3;4-6,12H,1-3H3;8-9H,2-7H2,1H3;4-7H,1-3H3;2-3,6H,4-5H2,1H3;3*2-5H,1H3;2-5H,8H2,1H3;3-4H,1-2H3;2-4H,1H3,(H2,7,8);3-4H,1-2H3;2*3-4H,1-2H3/t;;11-;;;;;;;;;;;;;/m..1............./s1
• InChIKey: SDMQOBRQYDDGOE-SFXMUQNJSA-N
• XLogP: 27.05
• TPSA: 270.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 11
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2311.17
LogP ≤ 5	27.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;N,N,3-trimethylaniline?

The IUPAC name of 2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;N,N,3-trimethylaniline (CID 160804419) is 2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;N,N,3-trimethylaniline.

What is the SMILES notation for 2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;N,N,3-trimethylaniline?

The canonical SMILES for 2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;N,N,3-trimethylaniline is COc1cc(C)cs1.Cc1ccc(C(=O)N2CCN(C)CC2)cc1.Cc1ccc(C(=O)N2CCN(CCO)CC2)cc1.Cc1ccc(C(=O)N2CC[C@@H](O)C2)cc1.Cc1ccc(C(C)(C)O)c(F)c1.Cc1ccc(C)s1.Cc1ccc(F)cc1.Cc1ccc(N)cc1.Cc1ccc(N)nc1.Cc1ccc2c(c1)CCO2.Cc1cccc(F)c1.Cc1cccc(N(C)C)c1.Cc1ccccc1F.Cc1cnc(C)nc1.Cc1cnn(CCN2CCOCC2)c1.Cc1csc(C)c1.

What is the InChIKey of 2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;N,N,3-trimethylaniline?

The InChIKey is SDMQOBRQYDDGOE-SFXMUQNJSA-N. The full InChI is InChI=1S/C14H20N2O2.C13H18N2O.C12H15NO2.C10H13FO.C10H17N3O.C9H13N.C9H10O.3C7H7F.C7H9N.2C6H8N2.C6H8OS.2C6H8S/c1-12-2-4-13(5-3-12)14(18)16-8-6-15(7-9-16)10-11-17;1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15;1-9-2-4-10(5-3-9)12(15)13-7-6-11(14)8-13;1-7-4-5-8(9(11)6-7)10(2,3)12;1-10-8-11-13(9-10)3-2-12-4-6-14-7-5-12;1-8-5-4-6-9(7-8)10(2)3;1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-2-4-7(8)5-3-6;1-5-3-7-6(2)8-4-5;1-5-2-3-6(7)8-4-5;1-5-3-6(7-2)8-4-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5/h2-5,17H,6-11H2,1H3;3-6H,7-10H2,1-2H3;2-5,11,14H,6-8H2,1H3;4-6,12H,1-3H3;8-9H,2-7H2,1H3;4-7H,1-3H3;2-3,6H,4-5H2,1H3;3*2-5H,1H3;2-5H,8H2,1H3;3-4H,1-2H3;2-4H,1H3,(H2,7,8);3-4H,1-2H3;2*3-4H,1-2H3/t;;11-;;;;;;;;;;;;;/m..1............./s1.

What are the key properties of 2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;N,N,3-trimethylaniline?

2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;N,N,3-trimethylaniline has a molecular weight of 2311.17 g/mol, XLogP of 27.05, 11 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;N,N,3-trimethylaniline is sourced from PubChem (CID 160804419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).