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

C19H28N4O3 — CID 58497567

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

4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 58497567) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 58497567
• Molecular Formula: C19H28N4O3
• Molecular Weight: 360.46 g/mol
• Exact Mass: 360.22
• IUPAC Name: 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: Nc1nc(OCCC2CC2)nc2c1CC(=O)N2CCCC1CCCCO1
• InChI: InChI=1S/C19H28N4O3/c20-17-15-12-16(24)23(9-3-5-14-4-1-2-10-25-14)18(15)22-19(21-17)26-11-8-13-6-7-13/h13-14H,1-12H2,(H2,20,21,22)
• InChIKey: PQUXYNKZLFNPHV-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 90.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.46
LogP ≤ 5	2.48
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-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 58497567) is 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

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

The canonical SMILES for 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is Nc1nc(OCCC2CC2)nc2c1CC(=O)N2CCCC1CCCCO1.

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

The InChIKey is PQUXYNKZLFNPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c20-17-15-12-16(24)23(9-3-5-14-4-1-2-10-25-14)18(15)22-19(21-17)26-11-8-13-6-7-13/h13-14H,1-12H2,(H2,20,21,22).

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

4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 360.46 g/mol, XLogP of 2.48, 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-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 58497567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).