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

C16H15N9O — CID 169381029

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

[5,7-diamino-6-cyano-4-[2-hydroxy-6-(methylamino)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169381029) has the molecular formula C16H15N9O and a molecular weight of 349.36 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-[2-hydroxy-6-(methylamino)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

• Compound Name: [5,7-diamino-6-cyano-4-[2-hydroxy-6-(methylamino)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
• PubChem CID: 169381029
• Molecular Formula: C16H15N9O
• Molecular Weight: 349.36 g/mol
• Exact Mass: 349.14
• IUPAC Name: [5,7-diamino-6-cyano-4-[2-hydroxy-6-(methylamino)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
• SMILES: CNc1cccc(O)c1C1N=C(NC#N)Nc2nc(N)c(C#N)c(N)c21
• InChI: InChI=1S/C16H15N9O/c1-21-8-3-2-4-9(26)10(8)13-11-12(19)7(5-17)14(20)24-15(11)25-16(23-13)22-6-18/h2-4,13,21,26H,1H3,(H6,19,20,22,23,24,25)
• InChIKey: SFPPGYOYPWPYKT-UHFFFAOYSA-N
• XLogP: 0.81
• TPSA: 181.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	349.36
LogP ≤ 5	0.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'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-hydroxy-6-(methylamino)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

The IUPAC name of [5,7-diamino-6-cyano-4-[2-hydroxy-6-(methylamino)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169381029) is [5,7-diamino-6-cyano-4-[2-hydroxy-6-(methylamino)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

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

The canonical SMILES for [5,7-diamino-6-cyano-4-[2-hydroxy-6-(methylamino)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is CNc1cccc(O)c1C1N=C(NC#N)Nc2nc(N)c(C#N)c(N)c21.

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

The InChIKey is SFPPGYOYPWPYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N9O/c1-21-8-3-2-4-9(26)10(8)13-11-12(19)7(5-17)14(20)24-15(11)25-16(23-13)22-6-18/h2-4,13,21,26H,1H3,(H6,19,20,22,23,24,25).

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

[5,7-diamino-6-cyano-4-[2-hydroxy-6-(methylamino)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 349.36 g/mol, XLogP of 0.81, 2 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [5,7-diamino-6-cyano-4-[2-hydroxy-6-(methylamino)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169381029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).