N,N-dimethyl-1-(4-methyl-2-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-2-yl)methanamine;2,4-dimethylpyrimidine;2-ethyl-4-fluoro-1-methylbenzene;3-ethyl-1-hydroxy-4-methylpyridin-1-ium;1-(1-hydroxy-4-methylpyridin-1-ium-2-yl)-N,N-dimethylmethanamine;methane;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methyl-N-propylpyrimidin-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidine

C83H133FN22O4+2 — CID 160781895

About N,N-dimethyl-1-(4-methyl-2-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-2-yl)methanamine;2,4-dimethylpyrimidine;2-ethyl-4-fluoro-1-methylbenzene;3-ethyl-1-hydroxy-4-methylpyridin-1-ium;1-(1-hydroxy-4-methylpyridin-1-ium-2-yl)-N,N-dimethylmethanamine;methane;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methyl-N-propylpyrimidin-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidine

N,N-dimethyl-1-(4-methyl-2-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-2-yl)methanamine;2,4-dimethylpyrimidine;2-ethyl-4-fluoro-1-methylbenzene;3-ethyl-1-hydroxy-4-methylpyridin-1-ium;1-(1-hydroxy-4-methylpyridin-1-ium-2-yl)-N,N-dimethylmethanamine;methane;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methyl-N-propylpyrimidin-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidine (PubChem CID 160781895) has the molecular formula C83H133FN22O4+2 and a molecular weight of 1522.12 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methyl-2-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-2-yl)methanamine;2,4-dimethylpyrimidine;2-ethyl-4-fluoro-1-methylbenzene;3-ethyl-1-hydroxy-4-methylpyridin-1-ium;1-(1-hydroxy-4-methylpyridin-1-ium-2-yl)-N,N-dimethylmethanamine;methane;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methyl-N-propylpyrimidin-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidine.

Molecular Properties

• Compound Name: N,N-dimethyl-1-(4-methyl-2-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-2-yl)methanamine;2,4-dimethylpyrimidine;2-ethyl-4-fluoro-1-methylbenzene;3-ethyl-1-hydroxy-4-methylpyridin-1-ium;1-(1-hydroxy-4-methylpyridin-1-ium-2-yl)-N,N-dimethylmethanamine;methane;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methyl-N-propylpyrimidin-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidine
• PubChem CID: 160781895
• Molecular Formula: C83H133FN22O4+2
• Molecular Weight: 1522.12 g/mol
• Exact Mass: 1521.09
• IUPAC Name: N,N-dimethyl-1-(4-methyl-2-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-2-yl)methanamine;2,4-dimethylpyrimidine;2-ethyl-4-fluoro-1-methylbenzene;3-ethyl-1-hydroxy-4-methylpyridin-1-ium;1-(1-hydroxy-4-methylpyridin-1-ium-2-yl)-N,N-dimethylmethanamine;methane;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methyl-N-propylpyrimidin-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidine
• SMILES: C.CCCNc1nccc(C)n1.CCc1c[n+](O)ccc1C.CCc1cc(F)ccc1C.Cc1cc[n+](O)c(CN(C)C)c1.Cc1ccnc(C)n1.Cc1ccnc(CN(C)C)c1.Cc1ccnc(CN(C)C)n1.Cc1ccnc(N)n1.Cc1ccncn1.[H]/N=C(\C)N1CCC(OC)C1.[H]/N=C(\C)N1CCC(OC)CC1
• InChI: InChI=1S/C9H11F.C9H15N2O.C9H14N2.2C8H13N3.C8H16N2O.C8H12NO.C7H14N2O.C6H8N2.C5H7N3.C5H6N2.CH4/c1-3-8-6-9(10)5-4-7(8)2;1-8-4-5-11(12)9(6-8)7-10(2)3;1-8-4-5-10-9(6-8)7-11(2)3;1-7-4-5-9-8(10-7)6-11(2)3;1-3-5-9-8-10-6-4-7(2)11-8;1-7(9)10-5-3-8(11-2)4-6-10;1-3-8-6-9(10)5-4-7(8)2;1-6(8)9-4-3-7(5-9)10-2;1-5-3-4-7-6(2)8-5;1-4-2-3-7-5(6)8-4;1-5-2-3-6-4-7-5;/h4-6H,3H2,1-2H3;4-6,12H,7H2,1-3H3;4-6H,7H2,1-3H3;4-5H,6H2,1-3H3;4,6H,3,5H2,1-2H3,(H,9,10,11);8-9H,3-6H2,1-2H3;4-6,10H,3H2,1-2H3;7-8H,3-5H2,1-2H3;3-4H,1-2H3;2-3H,1H3,(H2,6,7,8);2-4H,1H3;1H4/q;+1;;;;;+1;;;;;/b;;;;;9-7+;;8-6+
• InChIKey: SAROGIVEKKNQKX-LQXSSNKQSA-N
• XLogP: 12.95
• TPSA: 310.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1522.12
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methyl-2-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-2-yl)methanamine;2,4-dimethylpyrimidine;2-ethyl-4-fluoro-1-methylbenzene;3-ethyl-1-hydroxy-4-methylpyridin-1-ium;1-(1-hydroxy-4-methylpyridin-1-ium-2-yl)-N,N-dimethylmethanamine;methane;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methyl-N-propylpyrimidin-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidine?

The IUPAC name of N,N-dimethyl-1-(4-methyl-2-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-2-yl)methanamine;2,4-dimethylpyrimidine;2-ethyl-4-fluoro-1-methylbenzene;3-ethyl-1-hydroxy-4-methylpyridin-1-ium;1-(1-hydroxy-4-methylpyridin-1-ium-2-yl)-N,N-dimethylmethanamine;methane;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methyl-N-propylpyrimidin-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidine (CID 160781895) is N,N-dimethyl-1-(4-methyl-2-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-2-yl)methanamine;2,4-dimethylpyrimidine;2-ethyl-4-fluoro-1-methylbenzene;3-ethyl-1-hydroxy-4-methylpyridin-1-ium;1-(1-hydroxy-4-methylpyridin-1-ium-2-yl)-N,N-dimethylmethanamine;methane;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methyl-N-propylpyrimidin-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidine.

What is the SMILES notation for N,N-dimethyl-1-(4-methyl-2-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-2-yl)methanamine;2,4-dimethylpyrimidine;2-ethyl-4-fluoro-1-methylbenzene;3-ethyl-1-hydroxy-4-methylpyridin-1-ium;1-(1-hydroxy-4-methylpyridin-1-ium-2-yl)-N,N-dimethylmethanamine;methane;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methyl-N-propylpyrimidin-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidine?

The canonical SMILES for N,N-dimethyl-1-(4-methyl-2-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-2-yl)methanamine;2,4-dimethylpyrimidine;2-ethyl-4-fluoro-1-methylbenzene;3-ethyl-1-hydroxy-4-methylpyridin-1-ium;1-(1-hydroxy-4-methylpyridin-1-ium-2-yl)-N,N-dimethylmethanamine;methane;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methyl-N-propylpyrimidin-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidine is C.CCCNc1nccc(C)n1.CCc1c[n+](O)ccc1C.CCc1cc(F)ccc1C.Cc1cc[n+](O)c(CN(C)C)c1.Cc1ccnc(C)n1.Cc1ccnc(CN(C)C)c1.Cc1ccnc(CN(C)C)n1.Cc1ccnc(N)n1.Cc1ccncn1.[H]/N=C(\C)N1CCC(OC)C1.[H]/N=C(\C)N1CCC(OC)CC1.

What is the InChIKey of N,N-dimethyl-1-(4-methyl-2-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-2-yl)methanamine;2,4-dimethylpyrimidine;2-ethyl-4-fluoro-1-methylbenzene;3-ethyl-1-hydroxy-4-methylpyridin-1-ium;1-(1-hydroxy-4-methylpyridin-1-ium-2-yl)-N,N-dimethylmethanamine;methane;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methyl-N-propylpyrimidin-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidine?

The InChIKey is SAROGIVEKKNQKX-LQXSSNKQSA-N. The full InChI is InChI=1S/C9H11F.C9H15N2O.C9H14N2.2C8H13N3.C8H16N2O.C8H12NO.C7H14N2O.C6H8N2.C5H7N3.C5H6N2.CH4/c1-3-8-6-9(10)5-4-7(8)2;1-8-4-5-11(12)9(6-8)7-10(2)3;1-8-4-5-10-9(6-8)7-11(2)3;1-7-4-5-9-8(10-7)6-11(2)3;1-3-5-9-8-10-6-4-7(2)11-8;1-7(9)10-5-3-8(11-2)4-6-10;1-3-8-6-9(10)5-4-7(8)2;1-6(8)9-4-3-7(5-9)10-2;1-5-3-4-7-6(2)8-5;1-4-2-3-7-5(6)8-4;1-5-2-3-6-4-7-5;/h4-6H,3H2,1-2H3;4-6,12H,7H2,1-3H3;4-6H,7H2,1-3H3;4-5H,6H2,1-3H3;4,6H,3,5H2,1-2H3,(H,9,10,11);8-9H,3-6H2,1-2H3;4-6,10H,3H2,1-2H3;7-8H,3-5H2,1-2H3;3-4H,1-2H3;2-3H,1H3,(H2,6,7,8);2-4H,1H3;1H4/q;+1;;;;;+1;;;;;/b;;;;;9-7+;;8-6+;;;;.

What are the key properties of N,N-dimethyl-1-(4-methyl-2-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-2-yl)methanamine;2,4-dimethylpyrimidine;2-ethyl-4-fluoro-1-methylbenzene;3-ethyl-1-hydroxy-4-methylpyridin-1-ium;1-(1-hydroxy-4-methylpyridin-1-ium-2-yl)-N,N-dimethylmethanamine;methane;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methyl-N-propylpyrimidin-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidine?

N,N-dimethyl-1-(4-methyl-2-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-2-yl)methanamine;2,4-dimethylpyrimidine;2-ethyl-4-fluoro-1-methylbenzene;3-ethyl-1-hydroxy-4-methylpyridin-1-ium;1-(1-hydroxy-4-methylpyridin-1-ium-2-yl)-N,N-dimethylmethanamine;methane;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methyl-N-propylpyrimidin-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidine has a molecular weight of 1522.12 g/mol, XLogP of 12.95, 13 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-(4-methyl-2-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-2-yl)methanamine;2,4-dimethylpyrimidine;2-ethyl-4-fluoro-1-methylbenzene;3-ethyl-1-hydroxy-4-methylpyridin-1-ium;1-(1-hydroxy-4-methylpyridin-1-ium-2-yl)-N,N-dimethylmethanamine;methane;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methyl-N-propylpyrimidin-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidine is sourced from PubChem (CID 160781895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).