[5,7-diamino-6-cyano-4-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

C19H19FN8O — CID 169379174

About [5,7-diamino-6-cyano-4-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

[5,7-diamino-6-cyano-4-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169379174) has the molecular formula C19H19FN8O and a molecular weight of 394.41 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

• Compound Name: [5,7-diamino-6-cyano-4-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
• PubChem CID: 169379174
• Molecular Formula: C19H19FN8O
• Molecular Weight: 394.41 g/mol
• Exact Mass: 394.17
• IUPAC Name: [5,7-diamino-6-cyano-4-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
• SMILES: CC(C)OCc1ccc(C2N=C(NC#N)Nc3nc(N)c(C#N)c(N)c32)cc1F
• InChI: InChI=1S/C19H19FN8O/c1-9(2)29-7-11-4-3-10(5-13(11)20)16-14-15(23)12(6-21)17(24)27-18(14)28-19(26-16)25-8-22/h3-5,9,16H,7H2,1-2H3,(H6,23,24,25,26,27,28)
• InChIKey: COPGRUBGDMKWAN-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 158.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.41
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-6-cyano-4-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

The IUPAC name of [5,7-diamino-6-cyano-4-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169379174) is [5,7-diamino-6-cyano-4-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

What is the SMILES notation for [5,7-diamino-6-cyano-4-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

The canonical SMILES for [5,7-diamino-6-cyano-4-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is CC(C)OCc1ccc(C2N=C(NC#N)Nc3nc(N)c(C#N)c(N)c32)cc1F.

What is the InChIKey of [5,7-diamino-6-cyano-4-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

The InChIKey is COPGRUBGDMKWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN8O/c1-9(2)29-7-11-4-3-10(5-13(11)20)16-14-15(23)12(6-21)17(24)27-18(14)28-19(26-16)25-8-22/h3-5,9,16H,7H2,1-2H3,(H6,23,24,25,26,27,28).

What are the key properties of [5,7-diamino-6-cyano-4-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

[5,7-diamino-6-cyano-4-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 394.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [5,7-diamino-6-cyano-4-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169379174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).