6-amino-5-chloropyrimidine-4-carboxylic acid;ethyl 6-amino-5-chloropyrimidine-4-carboxylate;ethyl 5-chloro-6-[(2,4,6-trimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 5,6-dichloropyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine

C46H53Cl5N12O14 — CID 159345034

About 6-amino-5-chloropyrimidine-4-carboxylic acid;ethyl 6-amino-5-chloropyrimidine-4-carboxylate;ethyl 5-chloro-6-[(2,4,6-trimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 5,6-dichloropyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine

6-amino-5-chloropyrimidine-4-carboxylic acid;ethyl 6-amino-5-chloropyrimidine-4-carboxylate;ethyl 5-chloro-6-[(2,4,6-trimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 5,6-dichloropyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine (PubChem CID 159345034) has the molecular formula C46H53Cl5N12O14 and a molecular weight of 1175.26 g/mol. Its IUPAC name is 6-amino-5-chloropyrimidine-4-carboxylic acid;ethyl 6-amino-5-chloropyrimidine-4-carboxylate;ethyl 5-chloro-6-[(2,4,6-trimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 5,6-dichloropyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine.

Molecular Properties

• Compound Name: 6-amino-5-chloropyrimidine-4-carboxylic acid;ethyl 6-amino-5-chloropyrimidine-4-carboxylate;ethyl 5-chloro-6-[(2,4,6-trimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 5,6-dichloropyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine
• PubChem CID: 159345034
• Molecular Formula: C46H53Cl5N12O14
• Molecular Weight: 1175.26 g/mol
• Exact Mass: 1172.22
• IUPAC Name: 6-amino-5-chloropyrimidine-4-carboxylic acid;ethyl 6-amino-5-chloropyrimidine-4-carboxylate;ethyl 5-chloro-6-[(2,4,6-trimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 5,6-dichloropyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine
• SMILES: CCOC(=O)c1ncnc(Cl)c1Cl.CCOC(=O)c1ncnc(N)c1Cl.CCOC(=O)c1ncnc(NCc2c(OC)cc(OC)cc2OC)c1Cl.COc1cc(OC)c(CN)c(OC)c1.Nc1ncnc(C(=O)O)c1Cl
• InChI: InChI=1S/C17H20ClN3O5.C10H15NO3.C7H6Cl2N2O2.C7H8ClN3O2.C5H4ClN3O2/c1-5-26-17(22)15-14(18)16(21-9-20-15)19-8-11-12(24-3)6-10(23-2)7-13(11)25-4;1-12-7-4-9(13-2)8(6-11)10(5-7)14-3;2*1-2-13-7(12)5-4(8)6(9)11-3-10-5;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);1H,(H,10,11)(H2,7,8,9)
• InChIKey: LGPPGNGDGKWFIR-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 364.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1175.26
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

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-chloropyrimidine-4-carboxylic acid;ethyl 6-amino-5-chloropyrimidine-4-carboxylate;ethyl 5-chloro-6-[(2,4,6-trimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 5,6-dichloropyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine?

The IUPAC name of 6-amino-5-chloropyrimidine-4-carboxylic acid;ethyl 6-amino-5-chloropyrimidine-4-carboxylate;ethyl 5-chloro-6-[(2,4,6-trimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 5,6-dichloropyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine (CID 159345034) is 6-amino-5-chloropyrimidine-4-carboxylic acid;ethyl 6-amino-5-chloropyrimidine-4-carboxylate;ethyl 5-chloro-6-[(2,4,6-trimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 5,6-dichloropyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine.

What is the SMILES notation for 6-amino-5-chloropyrimidine-4-carboxylic acid;ethyl 6-amino-5-chloropyrimidine-4-carboxylate;ethyl 5-chloro-6-[(2,4,6-trimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 5,6-dichloropyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine?

The canonical SMILES for 6-amino-5-chloropyrimidine-4-carboxylic acid;ethyl 6-amino-5-chloropyrimidine-4-carboxylate;ethyl 5-chloro-6-[(2,4,6-trimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 5,6-dichloropyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine is CCOC(=O)c1ncnc(Cl)c1Cl.CCOC(=O)c1ncnc(N)c1Cl.CCOC(=O)c1ncnc(NCc2c(OC)cc(OC)cc2OC)c1Cl.COc1cc(OC)c(CN)c(OC)c1.Nc1ncnc(C(=O)O)c1Cl.

What is the InChIKey of 6-amino-5-chloropyrimidine-4-carboxylic acid;ethyl 6-amino-5-chloropyrimidine-4-carboxylate;ethyl 5-chloro-6-[(2,4,6-trimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 5,6-dichloropyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine?

The InChIKey is LGPPGNGDGKWFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O5.C10H15NO3.C7H6Cl2N2O2.C7H8ClN3O2.C5H4ClN3O2/c1-5-26-17(22)15-14(18)16(21-9-20-15)19-8-11-12(24-3)6-10(23-2)7-13(11)25-4;1-12-7-4-9(13-2)8(6-11)10(5-7)14-3;2*1-2-13-7(12)5-4(8)6(9)11-3-10-5;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);1H,(H,10,11)(H2,7,8,9).

What are the key properties of 6-amino-5-chloropyrimidine-4-carboxylic acid;ethyl 6-amino-5-chloropyrimidine-4-carboxylate;ethyl 5-chloro-6-[(2,4,6-trimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 5,6-dichloropyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine?

6-amino-5-chloropyrimidine-4-carboxylic acid;ethyl 6-amino-5-chloropyrimidine-4-carboxylate;ethyl 5-chloro-6-[(2,4,6-trimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 5,6-dichloropyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine has a molecular weight of 1175.26 g/mol, XLogP of 7.38, 17 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-5-chloropyrimidine-4-carboxylic acid;ethyl 6-amino-5-chloropyrimidine-4-carboxylate;ethyl 5-chloro-6-[(2,4,6-trimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;ethyl 5,6-dichloropyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine is sourced from PubChem (CID 159345034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).