bis(2,4-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-one;N-(methoxymethyl)-2,6-dimethylpyrimidin-4-amine;4-[4-(methoxymethyl)piperazin-1-yl]-2,6-dimethylpyrimidine;4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine;bis(1,2,3-trimethylbenzene);tetrakis(1,2,4-trimethylbenzene);bis(1,3,5-trimethylbenzene);2,4,6-trimethylpyrimidine;1,3-xylene

C161H225N19O4 — CID 158828038

About bis(2,4-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-one;N-(methoxymethyl)-2,6-dimethylpyrimidin-4-amine;4-[4-(methoxymethyl)piperazin-1-yl]-2,6-dimethylpyrimidine;4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine;bis(1,2,3-trimethylbenzene);tetrakis(1,2,4-trimethylbenzene);bis(1,3,5-trimethylbenzene);2,4,6-trimethylpyrimidine;1,3-xylene

bis(2,4-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-one;N-(methoxymethyl)-2,6-dimethylpyrimidin-4-amine;4-[4-(methoxymethyl)piperazin-1-yl]-2,6-dimethylpyrimidine;4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine;bis(1,2,3-trimethylbenzene);tetrakis(1,2,4-trimethylbenzene);bis(1,3,5-trimethylbenzene);2,4,6-trimethylpyrimidine;1,3-xylene (PubChem CID 158828038) has the molecular formula C161H225N19O4 and a molecular weight of 2490.70 g/mol. Its IUPAC name is bis(2,4-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-one;N-(methoxymethyl)-2,6-dimethylpyrimidin-4-amine;4-[4-(methoxymethyl)piperazin-1-yl]-2,6-dimethylpyrimidine;4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine;bis(1,2,3-trimethylbenzene);tetrakis(1,2,4-trimethylbenzene);bis(1,3,5-trimethylbenzene);2,4,6-trimethylpyrimidine;1,3-xylene.

Molecular Properties

• Compound Name: bis(2,4-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-one;N-(methoxymethyl)-2,6-dimethylpyrimidin-4-amine;4-[4-(methoxymethyl)piperazin-1-yl]-2,6-dimethylpyrimidine;4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine;bis(1,2,3-trimethylbenzene);tetrakis(1,2,4-trimethylbenzene);bis(1,3,5-trimethylbenzene);2,4,6-trimethylpyrimidine;1,3-xylene
• PubChem CID: 158828038
• Molecular Formula: C161H225N19O4
• Molecular Weight: 2490.70 g/mol
• Exact Mass: 2488.80
• IUPAC Name: bis(2,4-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-one;N-(methoxymethyl)-2,6-dimethylpyrimidin-4-amine;4-[4-(methoxymethyl)piperazin-1-yl]-2,6-dimethylpyrimidine;4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine;bis(1,2,3-trimethylbenzene);tetrakis(1,2,4-trimethylbenzene);bis(1,3,5-trimethylbenzene);2,4,6-trimethylpyrimidine;1,3-xylene
• SMILES: CCC(=O)C1CCCN1c1cc(C)nc(C)n1.COCC1CCN(c2cc(C)nc(C)n2)CC1.COCN1CCN(c2cc(C)nc(C)n2)CC1.COCNc1cc(C)nc(C)n1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)nc(C)n1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1cccc(C)c1.Cc1cccc(C)c1C.Cc1cccc(C)c1C.Cc1cccc(C)n1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1cncc(C)c1
• InChI: InChI=1S/C13H21N3O.C13H19N3O.C12H20N4O.8C9H12.C8H13N3O.C8H10.C7H10N2.4C7H9N/c1-10-8-13(15-11(2)14-10)16-6-4-12(5-7-16)9-17-3;1-4-12(17)11-6-5-7-16(11)13-8-9(2)14-10(3)15-13;1-10-8-12(14-11(2)13-10)16-6-4-15(5-7-16)9-17-3;2*1-7-4-8(2)6-9(3)5-7;4*1-7-4-5-8(2)9(3)6-7;2*1-7-5-4-6-8(2)9(7)3;1-6-4-8(9-5-12-3)11-7(2)10-6;1-7-4-3-5-8(2)6-7;1-5-4-6(2)9-7(3)8-5;1-6-3-7(2)5-8-4-6;2*1-6-3-4-8-7(2)5-6;1-6-4-3-5-7(2)8-6/h8,12H,4-7,9H2,1-3H3;8,11H,4-7H2,1-3H3;8H,4-7,9H2,1-3H3;8*4-6H,1-3H3;4H,5H2,1-3H3,(H,9,10,11);3-6H,1-2H3;4H,1-3H3;4*3-5H,1-2H3
• InChIKey: IWRPCAGEJXHSRP-UHFFFAOYSA-N
• XLogP: 37.32
• TPSA: 250.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2490.70
LogP ≤ 5	37.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-one;N-(methoxymethyl)-2,6-dimethylpyrimidin-4-amine;4-[4-(methoxymethyl)piperazin-1-yl]-2,6-dimethylpyrimidine;4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine;bis(1,2,3-trimethylbenzene);tetrakis(1,2,4-trimethylbenzene);bis(1,3,5-trimethylbenzene);2,4,6-trimethylpyrimidine;1,3-xylene?

The IUPAC name of bis(2,4-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-one;N-(methoxymethyl)-2,6-dimethylpyrimidin-4-amine;4-[4-(methoxymethyl)piperazin-1-yl]-2,6-dimethylpyrimidine;4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine;bis(1,2,3-trimethylbenzene);tetrakis(1,2,4-trimethylbenzene);bis(1,3,5-trimethylbenzene);2,4,6-trimethylpyrimidine;1,3-xylene (CID 158828038) is bis(2,4-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-one;N-(methoxymethyl)-2,6-dimethylpyrimidin-4-amine;4-[4-(methoxymethyl)piperazin-1-yl]-2,6-dimethylpyrimidine;4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine;bis(1,2,3-trimethylbenzene);tetrakis(1,2,4-trimethylbenzene);bis(1,3,5-trimethylbenzene);2,4,6-trimethylpyrimidine;1,3-xylene.

What is the SMILES notation for bis(2,4-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-one;N-(methoxymethyl)-2,6-dimethylpyrimidin-4-amine;4-[4-(methoxymethyl)piperazin-1-yl]-2,6-dimethylpyrimidine;4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine;bis(1,2,3-trimethylbenzene);tetrakis(1,2,4-trimethylbenzene);bis(1,3,5-trimethylbenzene);2,4,6-trimethylpyrimidine;1,3-xylene?

The canonical SMILES for bis(2,4-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-one;N-(methoxymethyl)-2,6-dimethylpyrimidin-4-amine;4-[4-(methoxymethyl)piperazin-1-yl]-2,6-dimethylpyrimidine;4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine;bis(1,2,3-trimethylbenzene);tetrakis(1,2,4-trimethylbenzene);bis(1,3,5-trimethylbenzene);2,4,6-trimethylpyrimidine;1,3-xylene is CCC(=O)C1CCCN1c1cc(C)nc(C)n1.COCC1CCN(c2cc(C)nc(C)n2)CC1.COCN1CCN(c2cc(C)nc(C)n2)CC1.COCNc1cc(C)nc(C)n1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)nc(C)n1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1cccc(C)c1.Cc1cccc(C)c1C.Cc1cccc(C)c1C.Cc1cccc(C)n1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1cncc(C)c1.

What is the InChIKey of bis(2,4-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-one;N-(methoxymethyl)-2,6-dimethylpyrimidin-4-amine;4-[4-(methoxymethyl)piperazin-1-yl]-2,6-dimethylpyrimidine;4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine;bis(1,2,3-trimethylbenzene);tetrakis(1,2,4-trimethylbenzene);bis(1,3,5-trimethylbenzene);2,4,6-trimethylpyrimidine;1,3-xylene?

The InChIKey is IWRPCAGEJXHSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.C13H19N3O.C12H20N4O.8C9H12.C8H13N3O.C8H10.C7H10N2.4C7H9N/c1-10-8-13(15-11(2)14-10)16-6-4-12(5-7-16)9-17-3;1-4-12(17)11-6-5-7-16(11)13-8-9(2)14-10(3)15-13;1-10-8-12(14-11(2)13-10)16-6-4-15(5-7-16)9-17-3;2*1-7-4-8(2)6-9(3)5-7;4*1-7-4-5-8(2)9(3)6-7;2*1-7-5-4-6-8(2)9(7)3;1-6-4-8(9-5-12-3)11-7(2)10-6;1-7-4-3-5-8(2)6-7;1-5-4-6(2)9-7(3)8-5;1-6-3-7(2)5-8-4-6;2*1-6-3-4-8-7(2)5-6;1-6-4-3-5-7(2)8-6/h8,12H,4-7,9H2,1-3H3;8,11H,4-7H2,1-3H3;8H,4-7,9H2,1-3H3;8*4-6H,1-3H3;4H,5H2,1-3H3,(H,9,10,11);3-6H,1-2H3;4H,1-3H3;4*3-5H,1-2H3.

What are the key properties of bis(2,4-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-one;N-(methoxymethyl)-2,6-dimethylpyrimidin-4-amine;4-[4-(methoxymethyl)piperazin-1-yl]-2,6-dimethylpyrimidine;4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine;bis(1,2,3-trimethylbenzene);tetrakis(1,2,4-trimethylbenzene);bis(1,3,5-trimethylbenzene);2,4,6-trimethylpyrimidine;1,3-xylene?

bis(2,4-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-one;N-(methoxymethyl)-2,6-dimethylpyrimidin-4-amine;4-[4-(methoxymethyl)piperazin-1-yl]-2,6-dimethylpyrimidine;4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine;bis(1,2,3-trimethylbenzene);tetrakis(1,2,4-trimethylbenzene);bis(1,3,5-trimethylbenzene);2,4,6-trimethylpyrimidine;1,3-xylene has a molecular weight of 2490.70 g/mol, XLogP of 37.32, 12 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,4-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-one;N-(methoxymethyl)-2,6-dimethylpyrimidin-4-amine;4-[4-(methoxymethyl)piperazin-1-yl]-2,6-dimethylpyrimidine;4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine;bis(1,2,3-trimethylbenzene);tetrakis(1,2,4-trimethylbenzene);bis(1,3,5-trimethylbenzene);2,4,6-trimethylpyrimidine;1,3-xylene is sourced from PubChem (CID 158828038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).