6,7-Dimethylpterin

C₈H₉N₅O — CID 135399180

About 6,7-Dimethylpterin

6,7-Dimethylpterin (PubChem CID 135399180) has the molecular formula C₈H₉N₅O and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-amino-6,7-dimethyl-3H-pteridin-4-one.

Molecular Properties

• Compound Name: 6,7-Dimethylpterin
• PubChem CID: 135399180
• Molecular Formula: C₈H₉N₅O
• Molecular Weight: 191.19 g/mol
• Exact Mass: 191.08
• IUPAC Name: 2-amino-6,7-dimethyl-3H-pteridin-4-one
• SMILES: Cc1nc2nc(N)[nH]c(=O)c2nc1C
• InChI: InChI=1S/C8H9N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h1-2H3,(H3,9,11,12,13,14)
• InChIKey: ZKWZUPPXTCQQJL-UHFFFAOYSA-N
• XLogP: -0.09
• TPSA: 97.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	191.19
LogP ≤ 5	-0.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6,7-Dimethylpterin?

The IUPAC name of 6,7-Dimethylpterin (CID 135399180) is 2-amino-6,7-dimethyl-3H-pteridin-4-one.

What is the SMILES notation for 6,7-Dimethylpterin?

The canonical SMILES for 6,7-Dimethylpterin is Cc1nc2nc(N)[nH]c(=O)c2nc1C.

What is the InChIKey of 6,7-Dimethylpterin?

The InChIKey is ZKWZUPPXTCQQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h1-2H3,(H3,9,11,12,13,14).

What are the key properties of 6,7-Dimethylpterin?

6,7-Dimethylpterin has a molecular weight of 191.19 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-Dimethylpterin is sourced from PubChem (CID 135399180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135399180 — identifiers, structure, computed properties (public domain)

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