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

C17H13N9O2 — CID 169380901

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

[5,7-diamino-6-cyano-4-(6-hydroxy-3-methyl-1,2-benzoxazol-7-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169380901) has the molecular formula C17H13N9O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-(6-hydroxy-3-methyl-1,2-benzoxazol-7-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

• Compound Name: [5,7-diamino-6-cyano-4-(6-hydroxy-3-methyl-1,2-benzoxazol-7-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
• PubChem CID: 169380901
• Molecular Formula: C17H13N9O2
• Molecular Weight: 375.35 g/mol
• Exact Mass: 375.12
• IUPAC Name: [5,7-diamino-6-cyano-4-(6-hydroxy-3-methyl-1,2-benzoxazol-7-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
• SMILES: Cc1noc2c(C3N=C(NC#N)Nc4nc(N)c(C#N)c(N)c43)c(O)ccc12
• InChI: InChI=1S/C17H13N9O2/c1-6-7-2-3-9(27)10(14(7)28-26-6)13-11-12(20)8(4-18)15(21)24-16(11)25-17(23-13)22-5-19/h2-3,13,27H,1H3,(H6,20,21,22,23,24,25)
• InChIKey: UQGCGUXOJBGHFH-UHFFFAOYSA-N
• XLogP: 1.21
• TPSA: 195.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 1
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	375.35
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

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-(6-hydroxy-3-methyl-1,2-benzoxazol-7-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

The IUPAC name of [5,7-diamino-6-cyano-4-(6-hydroxy-3-methyl-1,2-benzoxazol-7-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169380901) is [5,7-diamino-6-cyano-4-(6-hydroxy-3-methyl-1,2-benzoxazol-7-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

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

The canonical SMILES for [5,7-diamino-6-cyano-4-(6-hydroxy-3-methyl-1,2-benzoxazol-7-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is Cc1noc2c(C3N=C(NC#N)Nc4nc(N)c(C#N)c(N)c43)c(O)ccc12.

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

The InChIKey is UQGCGUXOJBGHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N9O2/c1-6-7-2-3-9(27)10(14(7)28-26-6)13-11-12(20)8(4-18)15(21)24-16(11)25-17(23-13)22-5-19/h2-3,13,27H,1H3,(H6,20,21,22,23,24,25).

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

[5,7-diamino-6-cyano-4-(6-hydroxy-3-methyl-1,2-benzoxazol-7-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 375.35 g/mol, XLogP of 1.21, 1 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [5,7-diamino-6-cyano-4-(6-hydroxy-3-methyl-1,2-benzoxazol-7-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169380901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).