N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C₁₅H₁₆N₄O₂ — CID 52998660

About N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 52998660) has the molecular formula C₁₅H₁₆N₄O₂ and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• PubChem CID: 52998660
• Molecular Formula: C₁₅H₁₆N₄O₂
• Molecular Weight: 284.32 g/mol
• Exact Mass: 284.13
• IUPAC Name: N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• SMILES: CCOc1ccc(Nc2nc(C)nc3onc(C)c23)cc1
• InChI: InChI=1S/C15H16N4O2/c1-4-20-12-7-5-11(6-8-12)18-14-13-9(2)19-21-15(13)17-10(3)16-14/h5-8H,4H2,1-3H3,(H,16,17,18)
• InChIKey: SROYEDQQONBRBZ-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 73.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.32
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?

The IUPAC name of N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 52998660) is N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

What is the SMILES notation for N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?

The canonical SMILES for N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is CCOc1ccc(Nc2nc(C)nc3onc(C)c23)cc1.

What is the InChIKey of N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?

The InChIKey is SROYEDQQONBRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-4-20-12-7-5-11(6-8-12)18-14-13-9(2)19-21-15(13)17-10(3)16-14/h5-8H,4H2,1-3H3,(H,16,17,18).

What are the key properties of N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?

N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 284.32 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 52998660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 52998660 — identifiers, structure, computed properties (public domain)

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