3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-(bromomethyl)pyrimidine;4,6-dimethyl-3-[3-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;1-(2-methyl-1H-indol-3-yl)ethanone;2-methyl-1-(pyrimidin-5-ylmethyl)indole-3-carboxylic acid;1-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]ethanone;pyrimidin-5-ylmethanol

C84H86BrN17O8 — CID 161441641

About 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-(bromomethyl)pyrimidine;4,6-dimethyl-3-[3-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;1-(2-methyl-1H-indol-3-yl)ethanone;2-methyl-1-(pyrimidin-5-ylmethyl)indole-3-carboxylic acid;1-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]ethanone;pyrimidin-5-ylmethanol

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-(bromomethyl)pyrimidine;4,6-dimethyl-3-[3-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;1-(2-methyl-1H-indol-3-yl)ethanone;2-methyl-1-(pyrimidin-5-ylmethyl)indole-3-carboxylic acid;1-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]ethanone;pyrimidin-5-ylmethanol (PubChem CID 161441641) has the molecular formula C84H86BrN17O8 and a molecular weight of 1541.63 g/mol. Its IUPAC name is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-(bromomethyl)pyrimidine;4,6-dimethyl-3-[3-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;1-(2-methyl-1H-indol-3-yl)ethanone;2-methyl-1-(pyrimidin-5-ylmethyl)indole-3-carboxylic acid;1-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]ethanone;pyrimidin-5-ylmethanol.

Molecular Properties

• Compound Name: 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-(bromomethyl)pyrimidine;4,6-dimethyl-3-[3-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;1-(2-methyl-1H-indol-3-yl)ethanone;2-methyl-1-(pyrimidin-5-ylmethyl)indole-3-carboxylic acid;1-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]ethanone;pyrimidin-5-ylmethanol
• PubChem CID: 161441641
• Molecular Formula: C84H86BrN17O8
• Molecular Weight: 1541.63 g/mol
• Exact Mass: 1539.60
• IUPAC Name: 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-(bromomethyl)pyrimidine;4,6-dimethyl-3-[3-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;1-(2-methyl-1H-indol-3-yl)ethanone;2-methyl-1-(pyrimidin-5-ylmethyl)indole-3-carboxylic acid;1-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]ethanone;pyrimidin-5-ylmethanol
• SMILES: BrCc1cncnc1.CC(=O)c1c(C)[nH]c2ccccc12.CC(=O)c1c(C)n(Cc2cncnc2)c2ccccc12.Cc1c(C(=O)O)c2ccccc2n1Cc1cncnc1.Cc1cc(C)c(CCC(=O)c2c(C)n(Cc3cncnc3)c3ccccc23)c(=O)[nH]1.Cc1cc(C)c(CN)c(=O)[nH]1.OCc1cncnc1
• InChI: InChI=1S/C24H24N4O2.C16H15N3O.C15H13N3O2.C11H11NO.C8H12N2O.C5H5BrN2.C5H6N2O/c1-15-10-16(2)27-24(30)19(15)8-9-22(29)23-17(3)28(13-18-11-25-14-26-12-18)21-7-5-4-6-20(21)23;1-11-16(12(2)20)14-5-3-4-6-15(14)19(11)9-13-7-17-10-18-8-13;1-10-14(15(19)20)12-4-2-3-5-13(12)18(10)8-11-6-16-9-17-7-11;1-7-11(8(2)13)9-5-3-4-6-10(9)12-7;1-5-3-6(2)10-8(11)7(5)4-9;6-1-5-2-7-4-8-3-5;8-3-5-1-6-4-7-2-5/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,27,30);3-8,10H,9H2,1-2H3;2-7,9H,8H2,1H3,(H,19,20);3-6,12H,1-2H3;3H,4,9H2,1-2H3,(H,10,11);2-4H,1H2;1-2,4,8H,3H2
• InChIKey: VZIRWROMLACGEO-UHFFFAOYSA-N
• XLogP: 13.86
• TPSA: 359.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1541.63
LogP ≤ 5	13.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-(bromomethyl)pyrimidine;4,6-dimethyl-3-[3-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;1-(2-methyl-1H-indol-3-yl)ethanone;2-methyl-1-(pyrimidin-5-ylmethyl)indole-3-carboxylic acid;1-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]ethanone;pyrimidin-5-ylmethanol?

The IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-(bromomethyl)pyrimidine;4,6-dimethyl-3-[3-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;1-(2-methyl-1H-indol-3-yl)ethanone;2-methyl-1-(pyrimidin-5-ylmethyl)indole-3-carboxylic acid;1-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]ethanone;pyrimidin-5-ylmethanol (CID 161441641) is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-(bromomethyl)pyrimidine;4,6-dimethyl-3-[3-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;1-(2-methyl-1H-indol-3-yl)ethanone;2-methyl-1-(pyrimidin-5-ylmethyl)indole-3-carboxylic acid;1-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]ethanone;pyrimidin-5-ylmethanol.

What is the SMILES notation for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-(bromomethyl)pyrimidine;4,6-dimethyl-3-[3-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;1-(2-methyl-1H-indol-3-yl)ethanone;2-methyl-1-(pyrimidin-5-ylmethyl)indole-3-carboxylic acid;1-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]ethanone;pyrimidin-5-ylmethanol?

The canonical SMILES for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-(bromomethyl)pyrimidine;4,6-dimethyl-3-[3-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;1-(2-methyl-1H-indol-3-yl)ethanone;2-methyl-1-(pyrimidin-5-ylmethyl)indole-3-carboxylic acid;1-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]ethanone;pyrimidin-5-ylmethanol is BrCc1cncnc1.CC(=O)c1c(C)[nH]c2ccccc12.CC(=O)c1c(C)n(Cc2cncnc2)c2ccccc12.Cc1c(C(=O)O)c2ccccc2n1Cc1cncnc1.Cc1cc(C)c(CCC(=O)c2c(C)n(Cc3cncnc3)c3ccccc23)c(=O)[nH]1.Cc1cc(C)c(CN)c(=O)[nH]1.OCc1cncnc1.

What is the InChIKey of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-(bromomethyl)pyrimidine;4,6-dimethyl-3-[3-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;1-(2-methyl-1H-indol-3-yl)ethanone;2-methyl-1-(pyrimidin-5-ylmethyl)indole-3-carboxylic acid;1-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]ethanone;pyrimidin-5-ylmethanol?

The InChIKey is VZIRWROMLACGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2.C16H15N3O.C15H13N3O2.C11H11NO.C8H12N2O.C5H5BrN2.C5H6N2O/c1-15-10-16(2)27-24(30)19(15)8-9-22(29)23-17(3)28(13-18-11-25-14-26-12-18)21-7-5-4-6-20(21)23;1-11-16(12(2)20)14-5-3-4-6-15(14)19(11)9-13-7-17-10-18-8-13;1-10-14(15(19)20)12-4-2-3-5-13(12)18(10)8-11-6-16-9-17-7-11;1-7-11(8(2)13)9-5-3-4-6-10(9)12-7;1-5-3-6(2)10-8(11)7(5)4-9;6-1-5-2-7-4-8-3-5;8-3-5-1-6-4-7-2-5/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,27,30);3-8,10H,9H2,1-2H3;2-7,9H,8H2,1H3,(H,19,20);3-6,12H,1-2H3;3H,4,9H2,1-2H3,(H,10,11);2-4H,1H2;1-2,4,8H,3H2.

What are the key properties of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-(bromomethyl)pyrimidine;4,6-dimethyl-3-[3-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;1-(2-methyl-1H-indol-3-yl)ethanone;2-methyl-1-(pyrimidin-5-ylmethyl)indole-3-carboxylic acid;1-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]ethanone;pyrimidin-5-ylmethanol?

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-(bromomethyl)pyrimidine;4,6-dimethyl-3-[3-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;1-(2-methyl-1H-indol-3-yl)ethanone;2-methyl-1-(pyrimidin-5-ylmethyl)indole-3-carboxylic acid;1-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]ethanone;pyrimidin-5-ylmethanol has a molecular weight of 1541.63 g/mol, XLogP of 13.86, 16 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;5-(bromomethyl)pyrimidine;4,6-dimethyl-3-[3-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;1-(2-methyl-1H-indol-3-yl)ethanone;2-methyl-1-(pyrimidin-5-ylmethyl)indole-3-carboxylic acid;1-[2-methyl-1-(pyrimidin-5-ylmethyl)indol-3-yl]ethanone;pyrimidin-5-ylmethanol is sourced from PubChem (CID 161441641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).