1,5-dimethylpyrimidine-2,4-dione;methane;1-methoxy-4-methylbenzene;2-methyl-3,4-dihydro-1H-isoquinoline;6-methyl-3,4-dihydro-1H-naphthalen-2-one;1-methyl-4-phenylpyrazole;1-methyl-5-phenylpyrimidine-2,4-dione;9-methylpurin-6-amine;6-methyl-7H-purine;9-methylpurine;2-methylpyridine;3-methylpyridine;1-methyl-5-pyridin-3-ylpyrimidine-2,4-dione;6-methylpyrrolo[3,4-b]pyridine-5,7-dione;2-methylpyrrolo[3,4-c]pyridine-1,3-dione;3-methylquinoline;8-methylquinoline;3-(1-methyl-1,2,4-triazol-3-yl)pyridine;toluene

C165H223N35O12 — CID 159203153

About 1,5-dimethylpyrimidine-2,4-dione;methane;1-methoxy-4-methylbenzene;2-methyl-3,4-dihydro-1H-isoquinoline;6-methyl-3,4-dihydro-1H-naphthalen-2-one;1-methyl-4-phenylpyrazole;1-methyl-5-phenylpyrimidine-2,4-dione;9-methylpurin-6-amine;6-methyl-7H-purine;9-methylpurine;2-methylpyridine;3-methylpyridine;1-methyl-5-pyridin-3-ylpyrimidine-2,4-dione;6-methylpyrrolo[3,4-b]pyridine-5,7-dione;2-methylpyrrolo[3,4-c]pyridine-1,3-dione;3-methylquinoline;8-methylquinoline;3-(1-methyl-1,2,4-triazol-3-yl)pyridine;toluene

1,5-dimethylpyrimidine-2,4-dione;methane;1-methoxy-4-methylbenzene;2-methyl-3,4-dihydro-1H-isoquinoline;6-methyl-3,4-dihydro-1H-naphthalen-2-one;1-methyl-4-phenylpyrazole;1-methyl-5-phenylpyrimidine-2,4-dione;9-methylpurin-6-amine;6-methyl-7H-purine;9-methylpurine;2-methylpyridine;3-methylpyridine;1-methyl-5-pyridin-3-ylpyrimidine-2,4-dione;6-methylpyrrolo[3,4-b]pyridine-5,7-dione;2-methylpyrrolo[3,4-c]pyridine-1,3-dione;3-methylquinoline;8-methylquinoline;3-(1-methyl-1,2,4-triazol-3-yl)pyridine;toluene (PubChem CID 159203153) has the molecular formula C165H223N35O12 and a molecular weight of 2888.83 g/mol. Its IUPAC name is 1,5-dimethylpyrimidine-2,4-dione;methane;1-methoxy-4-methylbenzene;2-methyl-3,4-dihydro-1H-isoquinoline;6-methyl-3,4-dihydro-1H-naphthalen-2-one;1-methyl-4-phenylpyrazole;1-methyl-5-phenylpyrimidine-2,4-dione;9-methylpurin-6-amine;6-methyl-7H-purine;9-methylpurine;2-methylpyridine;3-methylpyridine;1-methyl-5-pyridin-3-ylpyrimidine-2,4-dione;6-methylpyrrolo[3,4-b]pyridine-5,7-dione;2-methylpyrrolo[3,4-c]pyridine-1,3-dione;3-methylquinoline;8-methylquinoline;3-(1-methyl-1,2,4-triazol-3-yl)pyridine;toluene.

Molecular Properties

• Compound Name: 1,5-dimethylpyrimidine-2,4-dione;methane;1-methoxy-4-methylbenzene;2-methyl-3,4-dihydro-1H-isoquinoline;6-methyl-3,4-dihydro-1H-naphthalen-2-one;1-methyl-4-phenylpyrazole;1-methyl-5-phenylpyrimidine-2,4-dione;9-methylpurin-6-amine;6-methyl-7H-purine;9-methylpurine;2-methylpyridine;3-methylpyridine;1-methyl-5-pyridin-3-ylpyrimidine-2,4-dione;6-methylpyrrolo[3,4-b]pyridine-5,7-dione;2-methylpyrrolo[3,4-c]pyridine-1,3-dione;3-methylquinoline;8-methylquinoline;3-(1-methyl-1,2,4-triazol-3-yl)pyridine;toluene
• PubChem CID: 159203153
• Molecular Formula: C165H223N35O12
• Molecular Weight: 2888.83 g/mol
• Exact Mass: 2886.79
• IUPAC Name: 1,5-dimethylpyrimidine-2,4-dione;methane;1-methoxy-4-methylbenzene;2-methyl-3,4-dihydro-1H-isoquinoline;6-methyl-3,4-dihydro-1H-naphthalen-2-one;1-methyl-4-phenylpyrazole;1-methyl-5-phenylpyrimidine-2,4-dione;9-methylpurin-6-amine;6-methyl-7H-purine;9-methylpurine;2-methylpyridine;3-methylpyridine;1-methyl-5-pyridin-3-ylpyrimidine-2,4-dione;6-methylpyrrolo[3,4-b]pyridine-5,7-dione;2-methylpyrrolo[3,4-c]pyridine-1,3-dione;3-methylquinoline;8-methylquinoline;3-(1-methyl-1,2,4-triazol-3-yl)pyridine;toluene
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CN1C(=O)c2cccnc2C1=O.CN1C(=O)c2ccncc2C1=O.CN1CCc2ccccc2C1.COc1ccc(C)cc1.Cc1ccc2c(c1)CCC(=O)C2.Cc1cccc2cccnc12.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cn(C)c(=O)[nH]c1=O.Cc1cnc2ccccc2c1.Cc1ncnc2nc[nH]c12.Cn1cc(-c2ccccc2)c(=O)[nH]c1=O.Cn1cc(-c2ccccc2)cn1.Cn1cc(-c2cccnc2)c(=O)[nH]c1=O.Cn1cnc(-c2cccnc2)n1.Cn1cnc2c(N)ncnc21.Cn1cnc2cncnc21
• InChI: InChI=1S/C11H10N2O2.C11H12O.C10H9N3O2.C10H10N2.2C10H9N.C10H13N.C8H8N4.2C8H6N2O2.C8H10O.C7H8.C6H7N5.2C6H6N4.C6H8N2O2.2C6H7N.18CH4/c1-13-7-9(10(14)12-11(13)15)8-5-3-2-4-6-8;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-13-6-8(9(14)12-10(13)15)7-3-2-4-11-5-7;1-12-8-10(7-11-12)9-5-3-2-4-6-9;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-6-9-4-2-3-5-10(9)11-7-8;1-11-7-6-9-4-2-3-5-10(9)8-11;1-12-6-10-8(11-12)7-3-2-4-9-5-7;1-10-7(11)5-2-3-9-4-6(5)8(10)12;1-10-7(11)5-3-2-4-9-6(5)8(10)12;1-7-3-5-8(9-2)6-4-7;1-7-5-3-2-4-6-7;1-11-3-10-4-5(7)8-2-9-6(4)11;1-10-4-9-5-2-7-3-8-6(5)10;1-4-5-6(9-2-7-4)10-3-8-5;1-4-3-8(2)6(10)7-5(4)9;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;;;;;;;;;;;;;;;;;;/h2-7H,1H3,(H,12,14,15);2-3,6H,4-5,7H2,1H3;2-6H,1H3,(H,12,14,15);2-8H,1H3;2*2-7H,1H3;2-5H,6-8H2,1H3;2-6H,1H3;2*2-4H,1H3;3-6H,1-2H3;2-6H,1H3;2-3H,1H3,(H2,7,8,9);2-4H,1H3;2-3H,1H3,(H,7,8,9,10);3H,1-2H3,(H,7,9,10);2*2-5H,1H3;18*1H4
• InChIKey: KPNUFZDVMHWRAK-UHFFFAOYSA-N
• XLogP: 31.85
• TPSA: 588.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Rotatable Bonds: 5
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2888.83
LogP ≤ 5	31.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylpyrimidine-2,4-dione;methane;1-methoxy-4-methylbenzene;2-methyl-3,4-dihydro-1H-isoquinoline;6-methyl-3,4-dihydro-1H-naphthalen-2-one;1-methyl-4-phenylpyrazole;1-methyl-5-phenylpyrimidine-2,4-dione;9-methylpurin-6-amine;6-methyl-7H-purine;9-methylpurine;2-methylpyridine;3-methylpyridine;1-methyl-5-pyridin-3-ylpyrimidine-2,4-dione;6-methylpyrrolo[3,4-b]pyridine-5,7-dione;2-methylpyrrolo[3,4-c]pyridine-1,3-dione;3-methylquinoline;8-methylquinoline;3-(1-methyl-1,2,4-triazol-3-yl)pyridine;toluene?

The IUPAC name of 1,5-dimethylpyrimidine-2,4-dione;methane;1-methoxy-4-methylbenzene;2-methyl-3,4-dihydro-1H-isoquinoline;6-methyl-3,4-dihydro-1H-naphthalen-2-one;1-methyl-4-phenylpyrazole;1-methyl-5-phenylpyrimidine-2,4-dione;9-methylpurin-6-amine;6-methyl-7H-purine;9-methylpurine;2-methylpyridine;3-methylpyridine;1-methyl-5-pyridin-3-ylpyrimidine-2,4-dione;6-methylpyrrolo[3,4-b]pyridine-5,7-dione;2-methylpyrrolo[3,4-c]pyridine-1,3-dione;3-methylquinoline;8-methylquinoline;3-(1-methyl-1,2,4-triazol-3-yl)pyridine;toluene (CID 159203153) is 1,5-dimethylpyrimidine-2,4-dione;methane;1-methoxy-4-methylbenzene;2-methyl-3,4-dihydro-1H-isoquinoline;6-methyl-3,4-dihydro-1H-naphthalen-2-one;1-methyl-4-phenylpyrazole;1-methyl-5-phenylpyrimidine-2,4-dione;9-methylpurin-6-amine;6-methyl-7H-purine;9-methylpurine;2-methylpyridine;3-methylpyridine;1-methyl-5-pyridin-3-ylpyrimidine-2,4-dione;6-methylpyrrolo[3,4-b]pyridine-5,7-dione;2-methylpyrrolo[3,4-c]pyridine-1,3-dione;3-methylquinoline;8-methylquinoline;3-(1-methyl-1,2,4-triazol-3-yl)pyridine;toluene.

What is the SMILES notation for 1,5-dimethylpyrimidine-2,4-dione;methane;1-methoxy-4-methylbenzene;2-methyl-3,4-dihydro-1H-isoquinoline;6-methyl-3,4-dihydro-1H-naphthalen-2-one;1-methyl-4-phenylpyrazole;1-methyl-5-phenylpyrimidine-2,4-dione;9-methylpurin-6-amine;6-methyl-7H-purine;9-methylpurine;2-methylpyridine;3-methylpyridine;1-methyl-5-pyridin-3-ylpyrimidine-2,4-dione;6-methylpyrrolo[3,4-b]pyridine-5,7-dione;2-methylpyrrolo[3,4-c]pyridine-1,3-dione;3-methylquinoline;8-methylquinoline;3-(1-methyl-1,2,4-triazol-3-yl)pyridine;toluene?

The canonical SMILES for 1,5-dimethylpyrimidine-2,4-dione;methane;1-methoxy-4-methylbenzene;2-methyl-3,4-dihydro-1H-isoquinoline;6-methyl-3,4-dihydro-1H-naphthalen-2-one;1-methyl-4-phenylpyrazole;1-methyl-5-phenylpyrimidine-2,4-dione;9-methylpurin-6-amine;6-methyl-7H-purine;9-methylpurine;2-methylpyridine;3-methylpyridine;1-methyl-5-pyridin-3-ylpyrimidine-2,4-dione;6-methylpyrrolo[3,4-b]pyridine-5,7-dione;2-methylpyrrolo[3,4-c]pyridine-1,3-dione;3-methylquinoline;8-methylquinoline;3-(1-methyl-1,2,4-triazol-3-yl)pyridine;toluene is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CN1C(=O)c2cccnc2C1=O.CN1C(=O)c2ccncc2C1=O.CN1CCc2ccccc2C1.COc1ccc(C)cc1.Cc1ccc2c(c1)CCC(=O)C2.Cc1cccc2cccnc12.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cn(C)c(=O)[nH]c1=O.Cc1cnc2ccccc2c1.Cc1ncnc2nc[nH]c12.Cn1cc(-c2ccccc2)c(=O)[nH]c1=O.Cn1cc(-c2ccccc2)cn1.Cn1cc(-c2cccnc2)c(=O)[nH]c1=O.Cn1cnc(-c2cccnc2)n1.Cn1cnc2c(N)ncnc21.Cn1cnc2cncnc21.

What is the InChIKey of 1,5-dimethylpyrimidine-2,4-dione;methane;1-methoxy-4-methylbenzene;2-methyl-3,4-dihydro-1H-isoquinoline;6-methyl-3,4-dihydro-1H-naphthalen-2-one;1-methyl-4-phenylpyrazole;1-methyl-5-phenylpyrimidine-2,4-dione;9-methylpurin-6-amine;6-methyl-7H-purine;9-methylpurine;2-methylpyridine;3-methylpyridine;1-methyl-5-pyridin-3-ylpyrimidine-2,4-dione;6-methylpyrrolo[3,4-b]pyridine-5,7-dione;2-methylpyrrolo[3,4-c]pyridine-1,3-dione;3-methylquinoline;8-methylquinoline;3-(1-methyl-1,2,4-triazol-3-yl)pyridine;toluene?

The InChIKey is KPNUFZDVMHWRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2.C11H12O.C10H9N3O2.C10H10N2.2C10H9N.C10H13N.C8H8N4.2C8H6N2O2.C8H10O.C7H8.C6H7N5.2C6H6N4.C6H8N2O2.2C6H7N.18CH4/c1-13-7-9(10(14)12-11(13)15)8-5-3-2-4-6-8;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-13-6-8(9(14)12-10(13)15)7-3-2-4-11-5-7;1-12-8-10(7-11-12)9-5-3-2-4-6-9;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-6-9-4-2-3-5-10(9)11-7-8;1-11-7-6-9-4-2-3-5-10(9)8-11;1-12-6-10-8(11-12)7-3-2-4-9-5-7;1-10-7(11)5-2-3-9-4-6(5)8(10)12;1-10-7(11)5-3-2-4-9-6(5)8(10)12;1-7-3-5-8(9-2)6-4-7;1-7-5-3-2-4-6-7;1-11-3-10-4-5(7)8-2-9-6(4)11;1-10-4-9-5-2-7-3-8-6(5)10;1-4-5-6(9-2-7-4)10-3-8-5;1-4-3-8(2)6(10)7-5(4)9;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;;;;;;;;;;;;;;;;;;/h2-7H,1H3,(H,12,14,15);2-3,6H,4-5,7H2,1H3;2-6H,1H3,(H,12,14,15);2-8H,1H3;2*2-7H,1H3;2-5H,6-8H2,1H3;2-6H,1H3;2*2-4H,1H3;3-6H,1-2H3;2-6H,1H3;2-3H,1H3,(H2,7,8,9);2-4H,1H3;2-3H,1H3,(H,7,8,9,10);3H,1-2H3,(H,7,9,10);2*2-5H,1H3;18*1H4.

What are the key properties of 1,5-dimethylpyrimidine-2,4-dione;methane;1-methoxy-4-methylbenzene;2-methyl-3,4-dihydro-1H-isoquinoline;6-methyl-3,4-dihydro-1H-naphthalen-2-one;1-methyl-4-phenylpyrazole;1-methyl-5-phenylpyrimidine-2,4-dione;9-methylpurin-6-amine;6-methyl-7H-purine;9-methylpurine;2-methylpyridine;3-methylpyridine;1-methyl-5-pyridin-3-ylpyrimidine-2,4-dione;6-methylpyrrolo[3,4-b]pyridine-5,7-dione;2-methylpyrrolo[3,4-c]pyridine-1,3-dione;3-methylquinoline;8-methylquinoline;3-(1-methyl-1,2,4-triazol-3-yl)pyridine;toluene?

1,5-dimethylpyrimidine-2,4-dione;methane;1-methoxy-4-methylbenzene;2-methyl-3,4-dihydro-1H-isoquinoline;6-methyl-3,4-dihydro-1H-naphthalen-2-one;1-methyl-4-phenylpyrazole;1-methyl-5-phenylpyrimidine-2,4-dione;9-methylpurin-6-amine;6-methyl-7H-purine;9-methylpurine;2-methylpyridine;3-methylpyridine;1-methyl-5-pyridin-3-ylpyrimidine-2,4-dione;6-methylpyrrolo[3,4-b]pyridine-5,7-dione;2-methylpyrrolo[3,4-c]pyridine-1,3-dione;3-methylquinoline;8-methylquinoline;3-(1-methyl-1,2,4-triazol-3-yl)pyridine;toluene has a molecular weight of 2888.83 g/mol, XLogP of 31.85, 5 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethylpyrimidine-2,4-dione;methane;1-methoxy-4-methylbenzene;2-methyl-3,4-dihydro-1H-isoquinoline;6-methyl-3,4-dihydro-1H-naphthalen-2-one;1-methyl-4-phenylpyrazole;1-methyl-5-phenylpyrimidine-2,4-dione;9-methylpurin-6-amine;6-methyl-7H-purine;9-methylpurine;2-methylpyridine;3-methylpyridine;1-methyl-5-pyridin-3-ylpyrimidine-2,4-dione;6-methylpyrrolo[3,4-b]pyridine-5,7-dione;2-methylpyrrolo[3,4-c]pyridine-1,3-dione;3-methylquinoline;8-methylquinoline;3-(1-methyl-1,2,4-triazol-3-yl)pyridine;toluene is sourced from PubChem (CID 159203153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).