[5,7-diamino-6-cyano-4-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

C20H23N9O2 — CID 169380204

About [5,7-diamino-6-cyano-4-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

[5,7-diamino-6-cyano-4-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169380204) has the molecular formula C20H23N9O2 and a molecular weight of 421.47 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

• Compound Name: [5,7-diamino-6-cyano-4-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
• PubChem CID: 169380204
• Molecular Formula: C20H23N9O2
• Molecular Weight: 421.47 g/mol
• Exact Mass: 421.20
• IUPAC Name: [5,7-diamino-6-cyano-4-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
• SMILES: COc1cccc(C2N=C(NC#N)Nc3nc(N)c(C#N)c(N)c32)c1OCCN(C)C
• InChI: InChI=1S/C20H23N9O2/c1-29(2)7-8-31-17-11(5-4-6-13(17)30-3)16-14-15(23)12(9-21)18(24)27-19(14)28-20(26-16)25-10-22/h4-6,16H,7-8H2,1-3H3,(H6,23,24,25,26,27,28)
• InChIKey: VDLCJRDBVCMZDT-UHFFFAOYSA-N
• XLogP: 1.01
• TPSA: 170.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.47
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

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-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

The IUPAC name of [5,7-diamino-6-cyano-4-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169380204) is [5,7-diamino-6-cyano-4-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

What is the SMILES notation for [5,7-diamino-6-cyano-4-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

The canonical SMILES for [5,7-diamino-6-cyano-4-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is COc1cccc(C2N=C(NC#N)Nc3nc(N)c(C#N)c(N)c32)c1OCCN(C)C.

What is the InChIKey of [5,7-diamino-6-cyano-4-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

The InChIKey is VDLCJRDBVCMZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9O2/c1-29(2)7-8-31-17-11(5-4-6-13(17)30-3)16-14-15(23)12(9-21)18(24)27-19(14)28-20(26-16)25-10-22/h4-6,16H,7-8H2,1-3H3,(H6,23,24,25,26,27,28).

What are the key properties of [5,7-diamino-6-cyano-4-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

[5,7-diamino-6-cyano-4-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 421.47 g/mol, XLogP of 1.01, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [5,7-diamino-6-cyano-4-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169380204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).