bis(4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one);6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine

C36H26FN15O2 — CID 160664483

About bis(4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one);6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine

bis(4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one);6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 160664483) has the molecular formula C36H26FN15O2 and a molecular weight of 719.71 g/mol. Its IUPAC name is bis(4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one);6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: bis(4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one);6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
• PubChem CID: 160664483
• Molecular Formula: C36H26FN15O2
• Molecular Weight: 719.71 g/mol
• Exact Mass: 719.24
• IUPAC Name: bis(4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one);6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
• SMILES: Nc1ncnc2ccc(-c3cc[nH]c(=O)c3)nc12.Nc1ncnc2ccc(-c3cc[nH]c(=O)c3)nc12.Nc1ncnc2ccc(-c3ccnc(F)c3)nc12
• InChI: InChI=1S/C12H8FN5.2C12H9N5O/c13-10-5-7(3-4-15-10)8-1-2-9-11(18-8)12(14)17-6-16-9;2*13-12-11-9(15-6-16-12)2-1-8(17-11)7-3-4-14-10(18)5-7/h1-6H,(H2,14,16,17);2*1-6H,(H,14,18)(H2,13,15,16)
• InChIKey: RMCLNPLBWUTSRZ-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 272.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.71
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one);6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine?

The IUPAC name of bis(4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one);6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine (CID 160664483) is bis(4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one);6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for bis(4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one);6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine?

The canonical SMILES for bis(4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one);6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine is Nc1ncnc2ccc(-c3cc[nH]c(=O)c3)nc12.Nc1ncnc2ccc(-c3cc[nH]c(=O)c3)nc12.Nc1ncnc2ccc(-c3ccnc(F)c3)nc12.

What is the InChIKey of bis(4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one);6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine?

The InChIKey is RMCLNPLBWUTSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN5.2C12H9N5O/c13-10-5-7(3-4-15-10)8-1-2-9-11(18-8)12(14)17-6-16-9;2*13-12-11-9(15-6-16-12)2-1-8(17-11)7-3-4-14-10(18)5-7/h1-6H,(H2,14,16,17);2*1-6H,(H,14,18)(H2,13,15,16).

What are the key properties of bis(4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one);6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine?

bis(4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one);6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 719.71 g/mol, XLogP of 3.73, 3 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-1H-pyridin-2-one);6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 160664483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).