4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxolan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C18H26N4O3 — CID 58497477

About 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxolan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxolan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 58497477) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxolan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxolan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 58497477
• Molecular Formula: C18H26N4O3
• Molecular Weight: 346.43 g/mol
• Exact Mass: 346.20
• IUPAC Name: 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxolan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: Nc1nc(OCCC2CC2)nc2c1CC(=O)N2CCCC1CCCO1
• InChI: InChI=1S/C18H26N4O3/c19-16-14-11-15(23)22(8-1-3-13-4-2-9-24-13)17(14)21-18(20-16)25-10-7-12-5-6-12/h12-13H,1-11H2,(H2,19,20,21)
• InChIKey: FEKOAPONMYHHJT-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 90.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.43
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxolan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxolan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 58497477) is 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxolan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxolan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxolan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is Nc1nc(OCCC2CC2)nc2c1CC(=O)N2CCCC1CCCO1.

What is the InChIKey of 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxolan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is FEKOAPONMYHHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c19-16-14-11-15(23)22(8-1-3-13-4-2-9-24-13)17(14)21-18(20-16)25-10-7-12-5-6-12/h12-13H,1-11H2,(H2,19,20,21).

What are the key properties of 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxolan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxolan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 346.43 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxolan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 58497477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).