6-amino-5-bromopyrimidine-4-carboxylic acid;(2,6-dimethoxy-4-methylphenyl)methanamine;ethyl 6-amino-5-bromopyrimidine-4-carboxylate;ethyl 5-bromo-6-chloropyrimidine-4-carboxylate;ethyl 5-bromo-6-[(2,6-dimethoxy-4-methylphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 6-oxo-1H-pyrimidine-4-carboxylate

C53H61Br4ClN14O15 — CID 157446133

About 6-amino-5-bromopyrimidine-4-carboxylic acid;(2,6-dimethoxy-4-methylphenyl)methanamine;ethyl 6-amino-5-bromopyrimidine-4-carboxylate;ethyl 5-bromo-6-chloropyrimidine-4-carboxylate;ethyl 5-bromo-6-[(2,6-dimethoxy-4-methylphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 6-oxo-1H-pyrimidine-4-carboxylate

6-amino-5-bromopyrimidine-4-carboxylic acid;(2,6-dimethoxy-4-methylphenyl)methanamine;ethyl 6-amino-5-bromopyrimidine-4-carboxylate;ethyl 5-bromo-6-chloropyrimidine-4-carboxylate;ethyl 5-bromo-6-[(2,6-dimethoxy-4-methylphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 6-oxo-1H-pyrimidine-4-carboxylate (PubChem CID 157446133) has the molecular formula C53H61Br4ClN14O15 and a molecular weight of 1489.22 g/mol. Its IUPAC name is 6-amino-5-bromopyrimidine-4-carboxylic acid;(2,6-dimethoxy-4-methylphenyl)methanamine;ethyl 6-amino-5-bromopyrimidine-4-carboxylate;ethyl 5-bromo-6-chloropyrimidine-4-carboxylate;ethyl 5-bromo-6-[(2,6-dimethoxy-4-methylphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 6-oxo-1H-pyrimidine-4-carboxylate.

Molecular Properties

• Compound Name: 6-amino-5-bromopyrimidine-4-carboxylic acid;(2,6-dimethoxy-4-methylphenyl)methanamine;ethyl 6-amino-5-bromopyrimidine-4-carboxylate;ethyl 5-bromo-6-chloropyrimidine-4-carboxylate;ethyl 5-bromo-6-[(2,6-dimethoxy-4-methylphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 6-oxo-1H-pyrimidine-4-carboxylate
• PubChem CID: 157446133
• Molecular Formula: C53H61Br4ClN14O15
• Molecular Weight: 1489.22 g/mol
• Exact Mass: 1484.09
• IUPAC Name: 6-amino-5-bromopyrimidine-4-carboxylic acid;(2,6-dimethoxy-4-methylphenyl)methanamine;ethyl 6-amino-5-bromopyrimidine-4-carboxylate;ethyl 5-bromo-6-chloropyrimidine-4-carboxylate;ethyl 5-bromo-6-[(2,6-dimethoxy-4-methylphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 6-oxo-1H-pyrimidine-4-carboxylate
• SMILES: CCOC(=O)c1cc(=O)[nH]cn1.CCOC(=O)c1ncnc(Cl)c1Br.CCOC(=O)c1ncnc(N)c1Br.CCOC(=O)c1ncnc(NCc2c(OC)cc(C)cc2OC)c1Br.COc1cc(C)cc(OC)c1CN.Nc1ncnc(C(=O)O)c1Br
• InChI: InChI=1S/C17H20BrN3O4.C10H15NO2.C7H6BrClN2O2.C7H8BrN3O2.C7H8N2O3.C5H4BrN3O2/c1-5-25-17(22)15-14(18)16(21-9-20-15)19-8-11-12(23-3)6-10(2)7-13(11)24-4;1-7-4-9(12-2)8(6-11)10(5-7)13-3;2*1-2-13-7(12)5-4(8)6(9)11-3-10-5;1-2-12-7(11)5-3-6(10)9-4-8-5;6-2-3(5(10)11)8-1-9-4(2)7/h6-7,9H,5,8H2,1-4H3,(H,19,20,21);4-5H,6,11H2,1-3H3;3H,2H2,1H3;3H,2H2,1H3,(H2,9,10,11);3-4H,2H2,1H3,(H,8,9,10);1H,(H,10,11)(H2,7,8,9)
• InChIKey: BSFYDMGUTFXIJL-UHFFFAOYSA-N
• XLogP: 8.36
• TPSA: 418.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1489.22
LogP ≤ 5	8.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-bromopyrimidine-4-carboxylic acid;(2,6-dimethoxy-4-methylphenyl)methanamine;ethyl 6-amino-5-bromopyrimidine-4-carboxylate;ethyl 5-bromo-6-chloropyrimidine-4-carboxylate;ethyl 5-bromo-6-[(2,6-dimethoxy-4-methylphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 6-oxo-1H-pyrimidine-4-carboxylate?

The IUPAC name of 6-amino-5-bromopyrimidine-4-carboxylic acid;(2,6-dimethoxy-4-methylphenyl)methanamine;ethyl 6-amino-5-bromopyrimidine-4-carboxylate;ethyl 5-bromo-6-chloropyrimidine-4-carboxylate;ethyl 5-bromo-6-[(2,6-dimethoxy-4-methylphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 6-oxo-1H-pyrimidine-4-carboxylate (CID 157446133) is 6-amino-5-bromopyrimidine-4-carboxylic acid;(2,6-dimethoxy-4-methylphenyl)methanamine;ethyl 6-amino-5-bromopyrimidine-4-carboxylate;ethyl 5-bromo-6-chloropyrimidine-4-carboxylate;ethyl 5-bromo-6-[(2,6-dimethoxy-4-methylphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 6-oxo-1H-pyrimidine-4-carboxylate.

What is the SMILES notation for 6-amino-5-bromopyrimidine-4-carboxylic acid;(2,6-dimethoxy-4-methylphenyl)methanamine;ethyl 6-amino-5-bromopyrimidine-4-carboxylate;ethyl 5-bromo-6-chloropyrimidine-4-carboxylate;ethyl 5-bromo-6-[(2,6-dimethoxy-4-methylphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 6-oxo-1H-pyrimidine-4-carboxylate?

The canonical SMILES for 6-amino-5-bromopyrimidine-4-carboxylic acid;(2,6-dimethoxy-4-methylphenyl)methanamine;ethyl 6-amino-5-bromopyrimidine-4-carboxylate;ethyl 5-bromo-6-chloropyrimidine-4-carboxylate;ethyl 5-bromo-6-[(2,6-dimethoxy-4-methylphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 6-oxo-1H-pyrimidine-4-carboxylate is CCOC(=O)c1cc(=O)[nH]cn1.CCOC(=O)c1ncnc(Cl)c1Br.CCOC(=O)c1ncnc(N)c1Br.CCOC(=O)c1ncnc(NCc2c(OC)cc(C)cc2OC)c1Br.COc1cc(C)cc(OC)c1CN.Nc1ncnc(C(=O)O)c1Br.

What is the InChIKey of 6-amino-5-bromopyrimidine-4-carboxylic acid;(2,6-dimethoxy-4-methylphenyl)methanamine;ethyl 6-amino-5-bromopyrimidine-4-carboxylate;ethyl 5-bromo-6-chloropyrimidine-4-carboxylate;ethyl 5-bromo-6-[(2,6-dimethoxy-4-methylphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 6-oxo-1H-pyrimidine-4-carboxylate?

The InChIKey is BSFYDMGUTFXIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O4.C10H15NO2.C7H6BrClN2O2.C7H8BrN3O2.C7H8N2O3.C5H4BrN3O2/c1-5-25-17(22)15-14(18)16(21-9-20-15)19-8-11-12(23-3)6-10(2)7-13(11)24-4;1-7-4-9(12-2)8(6-11)10(5-7)13-3;2*1-2-13-7(12)5-4(8)6(9)11-3-10-5;1-2-12-7(11)5-3-6(10)9-4-8-5;6-2-3(5(10)11)8-1-9-4(2)7/h6-7,9H,5,8H2,1-4H3,(H,19,20,21);4-5H,6,11H2,1-3H3;3H,2H2,1H3;3H,2H2,1H3,(H2,9,10,11);3-4H,2H2,1H3,(H,8,9,10);1H,(H,10,11)(H2,7,8,9).

What are the key properties of 6-amino-5-bromopyrimidine-4-carboxylic acid;(2,6-dimethoxy-4-methylphenyl)methanamine;ethyl 6-amino-5-bromopyrimidine-4-carboxylate;ethyl 5-bromo-6-chloropyrimidine-4-carboxylate;ethyl 5-bromo-6-[(2,6-dimethoxy-4-methylphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 6-oxo-1H-pyrimidine-4-carboxylate?

6-amino-5-bromopyrimidine-4-carboxylic acid;(2,6-dimethoxy-4-methylphenyl)methanamine;ethyl 6-amino-5-bromopyrimidine-4-carboxylate;ethyl 5-bromo-6-chloropyrimidine-4-carboxylate;ethyl 5-bromo-6-[(2,6-dimethoxy-4-methylphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 6-oxo-1H-pyrimidine-4-carboxylate has a molecular weight of 1489.22 g/mol, XLogP of 8.36, 17 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-5-bromopyrimidine-4-carboxylic acid;(2,6-dimethoxy-4-methylphenyl)methanamine;ethyl 6-amino-5-bromopyrimidine-4-carboxylate;ethyl 5-bromo-6-chloropyrimidine-4-carboxylate;ethyl 5-bromo-6-[(2,6-dimethoxy-4-methylphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 6-oxo-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 157446133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).